![Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate structure](/static/products/356/356550-73-7.png)
Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate
TL;DR: Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate (CAS 356550-73-7) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-chloro-2-methylanilino)-4-oxobutanoate
Also Known As: ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate, ethyl 4-(3-chloro-2-methylanilino)-4-oxobutanoate, ethyl 3-[N-(3-chloro-2-methylphenyl)carbamoyl]propanoate
| Molecular Formula | C13H16ClNO3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 2.93022 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.08188 |
| Heavy Atoms | 18 |
| Complexity | 445.86255 |
Chemical Identifiers
| CAS Number | 356550-73-7 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=C(C(=CC=C1)Cl)C |
Product Overview
Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate (CAS 356550-73-7), with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol. IUPAC: ethyl 4-(3-chloro-2-methylanilino)-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate
Property Insights of Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate
The XLogP value of 2.93022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate 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 Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate?
The CAS number of Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate is 356550-73-7.
What is the molecular formula of Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate?
The molecular formula of Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate is C13H16ClNO3.
What is the molecular weight of Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate?
The molecular weight of Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate is 269.08 g/mol.
Where can I buy Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate?
You can request a quote for Ethyl 4-[(3-chloro-2-methylphenyl)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-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.