Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester
TL;DR: Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester (CAS 114790-08-8) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(benzoylcarbamoyl)phenyl]acetate
Also Known As: ethyl[2-(benzoylcarbamoyl)phenyl]acetate, Ethyl 2-[2-(benzoylcarbamoyl)phenyl]acetate, Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester, N-[2-(2-Ethoxy-2-oxoethyl)benzoyl]benzenecarboximidic acid
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 114790-08-8 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=CC=C1C(=O)NC(=O)C2=CC=CC=C2 |
| InChIKey | XUHOPOCEBHPDGC-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester (CAS 114790-08-8), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: ethyl 2-[2-(benzoylcarbamoyl)phenyl]acetate.
Chemical Property Profile of Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester
Property Insights of Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester has 1 hydrogen bond donor(s) and 4 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 Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester?
The CAS number of Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester is 114790-08-8.
What is the molecular formula of Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester?
The molecular formula of Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester is C18H17NO4.
What is the molecular weight of Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester?
The molecular weight of Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester is 311.12 g/mol.
Where can I buy Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester?
You can request a quote for Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2-((benzoylamino)carbonyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.