Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester
TL;DR: Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester (CAS 75112-82-2) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3-dihydroxy-6-(2-phenylethyl)benzoate
Also Known As: 2,3-Dihydroxy-6- benzoicacidmethylester, Methyl 2,3-dihydroxy-6-(2-phenylethyl)benzoate, methyl 2,3-dihydroxy-6-phenethylbenzoate, Methyl 2,3-dihydroxy-6-(2-phenylethyl)benzoate #, Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 75112-82-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1O)O)CCC2=CC=CC=C2 |
| InChIKey | KQPKQEMLEREDSE-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester (CAS 75112-82-2), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: methyl 2,3-dihydroxy-6-(2-phenylethyl)benzoate.
Chemical Property Profile of Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester
Property Insights of Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester
The XLogP value of 3.8 indicates that Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester has 2 hydrogen bond donor(s) and 4 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, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester?
The CAS number of Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester is 75112-82-2.
What is the molecular formula of Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester?
The molecular formula of Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester is C16H16O4.
What is the molecular weight of Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester?
The molecular weight of Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester is 272.10 g/mol.
Where can I buy Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester?
You can request a quote for Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl 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, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.