Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester
TL;DR: Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester (CAS 651331-91-8) is a chemical compound with molecular formula C10H10F2O4 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,2-difluoroethoxy)-2-hydroxybenzoate
Also Known As: methyl 4-(2,2-difluoroethoxy)-2-hydroxybenzoate, Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester, Methyl 4-(2,2-difluoroethoxy)-2-hydroxy-benzoate, Benzoic acid,4-(2,2-difluoroethoxy)-2-hydroxy-,methyl ester
| Molecular Formula | C10H10F2O4 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 1.8227 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.05472 |
| Heavy Atoms | 16 |
| Complexity | 379.08182 |
Chemical Identifiers
| CAS Number | 651331-91-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)OCC(F)F)O |
Product Overview
Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester (CAS 651331-91-8), with molecular formula C10H10F2O4 and molecular weight 232.05 g/mol. IUPAC: methyl 4-(2,2-difluoroethoxy)-2-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester
Property Insights of Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester
The XLogP value of 1.8227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester. With a topological polar surface area (TPSA) of 55.76 Ų, Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester has 1 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, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester?
The CAS number of Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester is 651331-91-8.
What is the molecular formula of Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester?
The molecular formula of Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester is C10H10F2O4.
What is the molecular weight of Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester?
The molecular weight of Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester is 232.05 g/mol.
Where can I buy Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester?
You can request a quote for Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, 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, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.