Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester
TL;DR: Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester (CAS 95390-39-9) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-ethoxycarbonyloxybenzoate
Also Known As: methyl 2-ethoxycarbonyloxybenzoate, methyl 2-[(ethoxycarbonyl)oxy]benzoate, Methyl 2-((ethoxycarbonyl)oxy)benzoate, Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester, Carbonic acid, ethyl ester, ester with methyl salicylate
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 95390-39-9 |
|---|---|
| SMILES | CCOC(=O)OC1=CC=CC=C1C(=O)OC |
| InChIKey | JCDFKMKOLAKELL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester (CAS 95390-39-9), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: methyl 2-ethoxycarbonyloxybenzoate.
Chemical Property Profile of Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester
Property Insights of Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester 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 Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester?
The CAS number of Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester is 95390-39-9.
What is the molecular formula of Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester?
The molecular formula of Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester is C11H12O5.
What is the molecular weight of Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester?
The molecular weight of Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester is 224.07 g/mol.
Where can I buy Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester?
You can request a quote for Benzoic acid, 2-((ethoxycarbonyl)oxy)-, 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-((ethoxycarbonyl)oxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((ethoxycarbonyl)oxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.