Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester
TL;DR: Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester (CAS 84370-83-2) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxybutyl 2-hydroxybenzoate
Also Known As: 3-Hydroxybutyl salicylate, 3-hydroxybutylsalicylate, 3-hydroxybutyl 2-hydroxybenzoate, EINECS 282-743-2, Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.3199 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 333.11475 |
Chemical Identifiers
| CAS Number | 84370-83-2 |
|---|---|
| SMILES | CC(CCOC(=O)C1=CC=CC=C1O)O |
Product Overview
Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester (CAS 84370-83-2), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: 3-hydroxybutyl 2-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester
Property Insights of Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester
The XLogP value of 1.3199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-, 3-hydroxybutyl 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-hydroxy-, 3-hydroxybutyl ester?
The CAS number of Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester is 84370-83-2.
What is the molecular formula of Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester?
The molecular formula of Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester is C11H14O4.
What is the molecular weight of Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester?
The molecular weight of Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester is 210.09 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester?
You can request a quote for Benzoic acid, 2-hydroxy-, 3-hydroxybutyl 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-hydroxy-, 3-hydroxybutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.