Methyl 3-acetamidobenzoate
TL;DR: Methyl 3-acetamidobenzoate (CAS 52189-36-3) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetamidobenzoate
Also Known As: methyl 3-acetamidobenzoate, Methyl 3-(acetylamino)benzoate, 3-ACETYLAMINO-BENZOIC ACID METHYL ESTER, methyl3-acetamidobenzoate, methyl 3-acetylaminobenzoate
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 52189-36-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)C(=O)OC |
| InChIKey | BMBOHBXLLAKPHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-acetamidobenzoate (CAS 52189-36-3), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: methyl 3-acetamidobenzoate.
Chemical Property Profile of Methyl 3-acetamidobenzoate
Property Insights of Methyl 3-acetamidobenzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-acetamidobenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-acetamidobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-acetamidobenzoate has 1 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 Methyl 3-acetamidobenzoate?
The CAS number of Methyl 3-acetamidobenzoate is 52189-36-3.
What is the molecular formula of Methyl 3-acetamidobenzoate?
The molecular formula of Methyl 3-acetamidobenzoate is C10H11NO3.
What is the molecular weight of Methyl 3-acetamidobenzoate?
The molecular weight of Methyl 3-acetamidobenzoate is 193.07 g/mol.
Where can I buy Methyl 3-acetamidobenzoate?
You can request a quote for Methyl 3-acetamidobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-acetamidobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetamidobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.