![Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate structure](/static/products/5809/5809-96-1.webp)
Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
TL;DR: Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate (CAS 5809-96-1) is a chemical compound with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
Also Known As: vinyl 2-phenylbutanoate, ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate, Ethyl 3-(3-chlorobenzamido)-3-(3-nitrophenyl)propanoate, A2899/0122120, ETHYL 3-[(3-CHLOROPHENYL)FORMAMIDO]-3-(3-NITROPHENYL)PROPANOATE
| Molecular Formula | C18H17ClN2O5 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 3.6725 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.0826 |
| Heavy Atoms | 26 |
| Complexity | 824.7337 |
Chemical Identifiers
| CAS Number | 5809-96-1 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC=C2)Cl |
Product Overview
Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate (CAS 5809-96-1), with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol. IUPAC: ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate.
Chemical Property Profile of Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
Property Insights of Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
The XLogP value of 3.6725 indicates that Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate has 1 hydrogen bond donor(s) and 5 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 Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate?
The CAS number of Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate is 5809-96-1.
What is the molecular formula of Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate?
The molecular formula of Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate is C18H17ClN2O5.
What is the molecular weight of Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate?
The molecular weight of Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate is 376.08 g/mol.
Where can I buy Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate?
You can request a quote for Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.