![Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate structure](/static/products/356/356550-59-9.png)
Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate
TL;DR: Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate (CAS 356550-59-9) is a chemical compound with molecular formula C12H13ClN2O5 and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chloro-3-nitroanilino)-4-oxobutanoate
Also Known As: Ethyl 4-{4-chloro-3-nitroanilino}, ethyl 4-{4-chloro-3-nitroanilino}-4-oxobutanoate, ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate, ethyl 4-(4-chloro-3-nitroanilino)-4-oxobutanoate, AN-329/40688580
| Molecular Formula | C12H13ClN2O5 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 2.53 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.0513 |
| Heavy Atoms | 20 |
| Complexity | 532.579 |
Chemical Identifiers
| CAS Number | 356550-59-9 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate (CAS 356550-59-9), with molecular formula C12H13ClN2O5 and molecular weight 300.05 g/mol. IUPAC: ethyl 4-(4-chloro-3-nitroanilino)-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate
Property Insights of Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate
The XLogP value of 2.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate 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 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate?
The CAS number of Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate is 356550-59-9.
What is the molecular formula of Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate?
The molecular formula of Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate is C12H13ClN2O5.
What is the molecular weight of Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate?
The molecular weight of Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate is 300.05 g/mol.
Where can I buy Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate?
You can request a quote for Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.