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3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester structure
Fine Chemical

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester

TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester (CAS 121497-22-1) is a chemical compound with molecular formula C33H33N3O8 and molecular weight 599.22675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

dimethyl 4-[2-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester, dimethyl 4-[(2E)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 4-[(2Z)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, BRN 6554447

CAS Number
121497-22-1
Molecular Formula
C33H33N3O8
Molecular Weight
599.22675 g/mol
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Technical Specifications

Molecular FormulaC33H33N3O8
Molecular Weight599.22675 g/mol
XLogP4.6
Topological Polar Surface Area (TPSA)141.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors10
Rotatable Bonds10
Exact Mass599.22675 Da
Heavy Atoms44
Complexity1090.0
SMILESCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC3=C(C=C2)N=C(N3CC4=CC(=C(C=C4)O)OC)C5=CC(=C(C=C5)O)OC)C(=O)OC
InChIKeyMRPFMJHZCGQXDG-UHFFFAOYSA-N

Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester

XLogP
4.6
TPSA (Topological Polar Surface Area)
141.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
Rotatable Bonds
10
Heavy Atoms
44
Complexity
1090.0
Exact Mass
599.22675
Monoisotopic Mass
599.22675
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester

The XLogP value of 4.6 indicates that 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester?

The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester is 121497-22-1.

What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester?

The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester is C33H33N3O8.

What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester?

The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester is 599.22675 g/mol.

Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester?

You can request a quote for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester?

Yes, CoreyChem provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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