Benzoic acid, 3-methoxy-, ethyl ester
TL;DR: Benzoic acid, 3-methoxy-, ethyl ester (CAS 10259-22-0) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methoxybenzoate
Also Known As: ethyl 3-methoxybenzoate, Ethyl m-anisate, Benzoic acid, 3-methoxy-, ethyl ester, Ethyl-3-methoxybenzoate, ETHYL M-METHOXYBENZOATE
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 10259-22-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)OC |
| InChIKey | GSQLMBQLTPEPHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-methoxy-, ethyl ester (CAS 10259-22-0), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: ethyl 3-methoxybenzoate.
Chemical Property Profile of Benzoic acid, 3-methoxy-, ethyl ester
Property Insights of Benzoic acid, 3-methoxy-, ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-methoxy-, ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 3-methoxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-methoxy-, ethyl ester has 0 hydrogen bond donor(s) and 3 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, 3-methoxy-, ethyl ester?
The CAS number of Benzoic acid, 3-methoxy-, ethyl ester is 10259-22-0.
What is the molecular formula of Benzoic acid, 3-methoxy-, ethyl ester?
The molecular formula of Benzoic acid, 3-methoxy-, ethyl ester is C10H12O3.
What is the molecular weight of Benzoic acid, 3-methoxy-, ethyl ester?
The molecular weight of Benzoic acid, 3-methoxy-, ethyl ester is 180.08 g/mol.
Where can I buy Benzoic acid, 3-methoxy-, ethyl ester?
You can request a quote for Benzoic acid, 3-methoxy-, ethyl 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, 3-methoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-methoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.