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(1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid structure
Fine Chemical

(1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid

TL;DR: (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid (CAS 1173688-40-8) is a chemical compound with molecular formula C28H35NO6 and molecular weight 481.24643 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-[[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid

Also Known As: (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid, 4-({[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid, 4-[[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid

CAS Number
1173688-40-8
Molecular Formula
C28H35NO6
Molecular Weight
481.24643 g/mol
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Technical Specifications

Molecular FormulaC28H35NO6
Molecular Weight481.24643 g/mol
XLogP4.8
Topological Polar Surface Area (TPSA)106.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds7
Exact Mass481.24643 Da
Heavy Atoms35
Complexity865.0
SMILESCC1=C(C(=O)OC2=C(C3=C(C=C12)C(=CO3)C(C)(C)C)C)CCC(=O)NCC4CCC(CC4)C(=O)O
InChIKeyALCRLVQDCOUCDC-UHFFFAOYSA-N

Chemical Property Profile of (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid

XLogP
4.8
TPSA (Topological Polar Surface Area)
106.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
7
Heavy Atoms
35
Complexity
865.0
Exact Mass
481.24643
Monoisotopic Mass
481.24643
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 (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid

The XLogP value of 4.8 indicates that (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid?

The CAS number of (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid is 1173688-40-8.

What is the molecular formula of (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid?

The molecular formula of (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid is C28H35NO6.

What is the molecular weight of (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid?

The molecular weight of (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid is 481.24643 g/mol.

Where can I buy (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid?

You can request a quote for (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid?

Yes, CoreyChem provides custom synthesis services for (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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