Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester (CAS 284673-89-8) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 3,4,5-trimethoxybenzoate
Also Known As: (4-cyanophenyl) 3,4,5-trimethoxybenzoate, Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester, 4-cyanophenyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.80328 |
| Topological Polar Surface Area | 77.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 721.56445 |
Chemical Identifiers
| CAS Number | 284673-89-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C#N |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester (CAS 284673-89-8), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: (4-cyanophenyl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester
The XLogP value of 2.80328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester. The TPSA of 77.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl 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, 3,4,5-trimethoxy-, 4-cyanophenyl ester?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester is 284673-89-8.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester is C17H15NO5.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester is 313.10 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl 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, 3,4,5-trimethoxy-, 4-cyanophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 4-cyanophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.