Phenyl 3,4,5-trimethoxybenzoate
TL;DR: Phenyl 3,4,5-trimethoxybenzoate (CAS 115967-47-0) is a chemical compound with molecular formula C16H16O5 and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3,4,5-trimethoxybenzoate
Also Known As: phenyl 3,4,5-trimethoxybenzoate, 3,4,5-Trimethoxybenzoic acid phenyl ester, 3,4,5-trimethoxy-benzoic acid phenyl ester, J3.704.600K, AN-652/40850401
| Molecular Formula | C16H16O5 |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 2.9316 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.09976 |
| Heavy Atoms | 21 |
| Complexity | 596.8145 |
Chemical Identifiers
| CAS Number | 115967-47-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC=C2 |
Product Overview
Phenyl 3,4,5-trimethoxybenzoate (CAS 115967-47-0), with molecular formula C16H16O5 and molecular weight 288.10 g/mol. IUPAC: phenyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Phenyl 3,4,5-trimethoxybenzoate
Property Insights of Phenyl 3,4,5-trimethoxybenzoate
The XLogP value of 2.9316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 3,4,5-trimethoxybenzoate. With a topological polar surface area (TPSA) of 53.99 Ų, Phenyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 Phenyl 3,4,5-trimethoxybenzoate?
The CAS number of Phenyl 3,4,5-trimethoxybenzoate is 115967-47-0.
What is the molecular formula of Phenyl 3,4,5-trimethoxybenzoate?
The molecular formula of Phenyl 3,4,5-trimethoxybenzoate is C16H16O5.
What is the molecular weight of Phenyl 3,4,5-trimethoxybenzoate?
The molecular weight of Phenyl 3,4,5-trimethoxybenzoate is 288.10 g/mol.
Where can I buy Phenyl 3,4,5-trimethoxybenzoate?
You can request a quote for Phenyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.