Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester
TL;DR: Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester (CAS 100743-90-6) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxycarbonylphenyl) 4-acetyloxybenzoate
Also Known As: Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester, (4-methoxycarbonylphenyl) 4-acetyloxybenzoate, methyl 4-[4-(acetyloxy)benzoyloxy]benzoate, J2.778.977C, 4-(4-Acetoxybenzoyloxy)benzoic acid methyl ester
| Molecular Formula | C17H14O6 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.6177 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.07904 |
| Heavy Atoms | 23 |
| Complexity | 715.7537 |
Chemical Identifiers
| CAS Number | 100743-90-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC |
Product Overview
Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester (CAS 100743-90-6), with molecular formula C17H14O6 and molecular weight 314.08 g/mol. IUPAC: (4-methoxycarbonylphenyl) 4-acetyloxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester
Property Insights of Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester
The XLogP value of 2.6177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester has 0 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 Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester?
The CAS number of Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester is 100743-90-6.
What is the molecular formula of Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester?
The molecular formula of Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester is C17H14O6.
What is the molecular weight of Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester?
The molecular weight of Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester is 314.08 g/mol.
Where can I buy Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester?
You can request a quote for Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.