Benzoic acid, 3-(aminocarbonyl)-, ethyl ester
TL;DR: Benzoic acid, 3-(aminocarbonyl)-, ethyl ester (CAS 78950-33-1) 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.
ethyl 3-carbamoylbenzoate
Also Known As: ethyl 3-carbamoylbenzoate, Benzoic acid, 3-(aminocarbonyl)-, ethyl ester, Benzoic acid,3-(aminocarbonyl)-,ethyl ester
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 78950-33-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC(=C1)C(=O)N |
| InChIKey | RWVSOIZWYBOQJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-(aminocarbonyl)-, ethyl ester (CAS 78950-33-1), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: ethyl 3-carbamoylbenzoate.
Chemical Property Profile of Benzoic acid, 3-(aminocarbonyl)-, ethyl ester
Property Insights of Benzoic acid, 3-(aminocarbonyl)-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(aminocarbonyl)-, ethyl ester. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-(aminocarbonyl)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3-(aminocarbonyl)-, ethyl ester 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 Benzoic acid, 3-(aminocarbonyl)-, ethyl ester?
The CAS number of Benzoic acid, 3-(aminocarbonyl)-, ethyl ester is 78950-33-1.
What is the molecular formula of Benzoic acid, 3-(aminocarbonyl)-, ethyl ester?
The molecular formula of Benzoic acid, 3-(aminocarbonyl)-, ethyl ester is C10H11NO3.
What is the molecular weight of Benzoic acid, 3-(aminocarbonyl)-, ethyl ester?
The molecular weight of Benzoic acid, 3-(aminocarbonyl)-, ethyl ester is 193.07 g/mol.
Where can I buy Benzoic acid, 3-(aminocarbonyl)-, ethyl ester?
You can request a quote for Benzoic acid, 3-(aminocarbonyl)-, 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-(aminocarbonyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(aminocarbonyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.