![4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid structure](/static/products/831/831247-58-6.png)
4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid
TL;DR: 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid (CAS 831247-58-6) is a chemical compound with molecular formula C19H17NO7 and molecular weight 371.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3,5-diacetyloxybenzoyl)amino]methyl]benzoic acid
Also Known As: 4-((3,5-diacetoxybenzamido)methyl)benzoic acid, 4-[[(3,5-diacetyloxybenzoyl)amino]methyl]benzoic Acid, 4-{[(3,5-diacetyloxyphenyl)carbonylamino]methyl}benzoic acid, 4-[({[3,5-bis(acetyloxy)phenyl]carbonyl}amino)methyl]benzoic acid
| Molecular Formula | C19H17NO7 |
|---|---|
| Molecular Weight | 371.10 g/mol |
| LogP | 2.1654 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.1005 |
| Heavy Atoms | 27 |
| Complexity | 853.1812 |
Chemical Identifiers
| CAS Number | 831247-58-6 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)OC(=O)C |
Product Overview
4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid (CAS 831247-58-6), with molecular formula C19H17NO7 and molecular weight 371.10 g/mol. IUPAC: 4-[[(3,5-diacetyloxybenzoyl)amino]methyl]benzoic acid.
Chemical Property Profile of 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid
Property Insights of 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid
The XLogP value of 2.1654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic 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
Frequently Asked Questions
What is the CAS number of 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid?
The CAS number of 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid is 831247-58-6.
What is the molecular formula of 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid?
The molecular formula of 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid is C19H17NO7.
What is the molecular weight of 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid?
The molecular weight of 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid is 371.10 g/mol.
Where can I buy 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid?
You can request a quote for 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3,5-Diacetyloxyphenyl)carbonylamino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.