Methyl 4-(4-chloroanilino)-4-oxobutanoate
TL;DR: Methyl 4-(4-chloroanilino)-4-oxobutanoate (CAS 86396-55-6) is a chemical compound with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-chloroanilino)-4-oxobutanoate
Also Known As: methyl 4-(4-chloroanilino)-4-oxobutanoate, methyl n-(4-chlorophenyl)succinamate, methyl 4-[(4-chlorophenyl)amino]-4-oxobutanoate, methyl 3-[(4-chlorophenyl)carbamoyl]propanoate, AB00075872-01
| Molecular Formula | C11H12ClNO3 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.05057 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 86396-55-6 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | QHXXTJHICKIVFA-UHFFFAOYSA-N |
Product Overview
Methyl 4-(4-chloroanilino)-4-oxobutanoate (CAS 86396-55-6), with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol. IUPAC: methyl 4-(4-chloroanilino)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(4-chloroanilino)-4-oxobutanoate
Property Insights of Methyl 4-(4-chloroanilino)-4-oxobutanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-chloroanilino)-4-oxobutanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-(4-chloroanilino)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-chloroanilino)-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 Methyl 4-(4-chloroanilino)-4-oxobutanoate?
The CAS number of Methyl 4-(4-chloroanilino)-4-oxobutanoate is 86396-55-6.
What is the molecular formula of Methyl 4-(4-chloroanilino)-4-oxobutanoate?
The molecular formula of Methyl 4-(4-chloroanilino)-4-oxobutanoate is C11H12ClNO3.
What is the molecular weight of Methyl 4-(4-chloroanilino)-4-oxobutanoate?
The molecular weight of Methyl 4-(4-chloroanilino)-4-oxobutanoate is 241.05 g/mol.
Where can I buy Methyl 4-(4-chloroanilino)-4-oxobutanoate?
You can request a quote for Methyl 4-(4-chloroanilino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-chloroanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-chloroanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.