Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester
TL;DR: Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester (CAS 791796-64-0) is a chemical compound with molecular formula C17H18O6 and molecular weight 318.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 2,4,5-trimethoxybenzoate
Also Known As: Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester, (4-methoxyphenyl) 2,4,5-trimethoxybenzoate, 4-METHOXYPHENYL 2,4,5-TRIMETHOXYBENZOATE, AN-652/43024664, Benzoic acid,2,4,5-trimethoxy-,4-methoxyphenyl ester
| Molecular Formula | C17H18O6 |
|---|---|
| Molecular Weight | 318.11 g/mol |
| LogP | 2.9402 |
| Topological Polar Surface Area | 63.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.11035 |
| Heavy Atoms | 23 |
| Complexity | 678.2281 |
Chemical Identifiers
| CAS Number | 791796-64-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2OC)OC)OC |
Product Overview
Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester (CAS 791796-64-0), with molecular formula C17H18O6 and molecular weight 318.11 g/mol. IUPAC: (4-methoxyphenyl) 2,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester
Property Insights of Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester
The XLogP value of 2.9402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester. The TPSA of 63.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl 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, 2,4,5-trimethoxy-, 4-methoxyphenyl ester?
The CAS number of Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester is 791796-64-0.
What is the molecular formula of Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester?
The molecular formula of Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester is C17H18O6.
What is the molecular weight of Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester?
The molecular weight of Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester is 318.11 g/mol.
Where can I buy Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester?
You can request a quote for Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl 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, 2,4,5-trimethoxy-, 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.