3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester
TL;DR: 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester (CAS 79831-86-0) is a chemical compound with molecular formula C15H14O5 and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-dihydroxy-5-phenylmethoxybenzoate
Also Known As: methyl 3-(benzyloxy)-4,5-dihydroxybenzoate, Bifendate Impurity 4, methyl 3,4-dihydroxy-5-phenylmethoxybenzoate, methyl 3-benzyloxy-4,5-dihydroxybenzoate, 3-Benzyloxy-4,5-dihydroxybenzoic acid methyl ester
| Molecular Formula | C15H14O5 |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 2.4634 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.08414 |
| Heavy Atoms | 20 |
| Complexity | 607.16095 |
Chemical Identifiers
| CAS Number | 79831-86-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)O)O |
Product Overview
3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester (CAS 79831-86-0), with molecular formula C15H14O5 and molecular weight 274.08 g/mol. IUPAC: methyl 3,4-dihydroxy-5-phenylmethoxybenzoate.
Chemical Property Profile of 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester
Property Insights of 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester
The XLogP value of 2.4634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester. Following Lipinski's Rule of Five, 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester has 2 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 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester?
The CAS number of 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester is 79831-86-0.
What is the molecular formula of 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester?
The molecular formula of 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester is C15H14O5.
What is the molecular weight of 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester?
The molecular weight of 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester is 274.08 g/mol.
Where can I buy 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester?
You can request a quote for 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyloxy-4,5-dihydroxy-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.