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3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester structure
Fine Chemical

3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester

TL;DR: 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester (CAS 1007485-77-9) is a chemical compound with molecular formula C39H34BrN3O5 and molecular weight 703.16815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

dibenzyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Also Known As: 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester, DIBENZYL 4-[3-(3-BROMO-4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-2,6-DIMETHYL-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATE, 3,5-Bis(phenylmethyl) 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate, dibenzyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, dibenzyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

CAS Number
1007485-77-9
Molecular Formula
C39H34BrN3O5
Molecular Weight
703.16815 g/mol
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Technical Specifications

Molecular FormulaC39H34BrN3O5
Molecular Weight703.16815 g/mol
XLogP7.8
Topological Polar Surface Area (TPSA)91.7 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors7
Rotatable Bonds12
Exact Mass703.16815 Da
Heavy Atoms48
Complexity1120.0
SMILESCC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC(=C(C=C4)OC)Br)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6
InChIKeyDHCOPOBBPDPICH-UHFFFAOYSA-N

Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester

XLogP
7.8
TPSA (Topological Polar Surface Area)
91.7
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
Rotatable Bonds
12
Heavy Atoms
48
Complexity
1120.0
Exact Mass
703.16815
Monoisotopic Mass
703.16815
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, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester

The XLogP value of 7.8 indicates that 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester?

The CAS number of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester is 1007485-77-9.

What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester?

The molecular formula of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester is C39H34BrN3O5.

What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester?

The molecular weight of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester is 703.16815 g/mol.

Where can I buy 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester?

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

Does CoreyChem offer custom synthesis for 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester?

Yes, CoreyChem provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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