3-(Propanoylamino)benzamide
TL;DR: 3-(Propanoylamino)benzamide (CAS 116591-63-0) is a chemical compound with molecular formula C10H12N2O2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(propanoylamino)benzamide
Also Known As: 3-(propanoylamino)benzamide, 3-(propionylamino)benzamide, AE-641/04241029
| Molecular Formula | C10H12N2O2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.08987 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 116591-63-0 |
|---|---|
| SMILES | CCC(=O)NC1=CC=CC(=C1)C(=O)N |
| InChIKey | ATXPEEOVYIDKCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Propanoylamino)benzamide (CAS 116591-63-0), with molecular formula C10H12N2O2 and molecular weight 192.09 g/mol. IUPAC: 3-(propanoylamino)benzamide.
Chemical Property Profile of 3-(Propanoylamino)benzamide
Property Insights of 3-(Propanoylamino)benzamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Propanoylamino)benzamide. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Propanoylamino)benzamide. Following Lipinski's Rule of Five, 3-(Propanoylamino)benzamide has 2 hydrogen bond donor(s) and 2 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 3-(Propanoylamino)benzamide?
The CAS number of 3-(Propanoylamino)benzamide is 116591-63-0.
What is the molecular formula of 3-(Propanoylamino)benzamide?
The molecular formula of 3-(Propanoylamino)benzamide is C10H12N2O2.
What is the molecular weight of 3-(Propanoylamino)benzamide?
The molecular weight of 3-(Propanoylamino)benzamide is 192.09 g/mol.
Where can I buy 3-(Propanoylamino)benzamide?
You can request a quote for 3-(Propanoylamino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Propanoylamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Propanoylamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.