Methyl 4-(acetylamino)benzoate
TL;DR: Methyl 4-(acetylamino)benzoate (CAS 17012-22-5) 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 4-acetamidobenzoate
Also Known As: methyl 4-acetamidobenzoate, Methyl 4-(acetylamino)benzoate, Methyl4-acetamidobenzoate, methyl 4-acetylaminobenzoate, TimTec1_002203
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.8 |
| 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 | 219.0 |
Chemical Identifiers
| CAS Number | 17012-22-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)OC |
| InChIKey | QKWTXJSLAZKYGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(acetylamino)benzoate (CAS 17012-22-5), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: methyl 4-acetamidobenzoate.
Chemical Property Profile of Methyl 4-(acetylamino)benzoate
Property Insights of Methyl 4-(acetylamino)benzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(acetylamino)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-(acetylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(acetylamino)benzoate 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 4-(acetylamino)benzoate?
The CAS number of Methyl 4-(acetylamino)benzoate is 17012-22-5.
What is the molecular formula of Methyl 4-(acetylamino)benzoate?
The molecular formula of Methyl 4-(acetylamino)benzoate is C10H11NO3.
What is the molecular weight of Methyl 4-(acetylamino)benzoate?
The molecular weight of Methyl 4-(acetylamino)benzoate is 193.07 g/mol.
Where can I buy Methyl 4-(acetylamino)benzoate?
You can request a quote for Methyl 4-(acetylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(acetylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(acetylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.