N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide
TL;DR: N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide (CAS 353286-29-0) is a chemical compound with molecular formula C15H16ClN3O2 and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-butanoyl-3-(5-chloro-2-methylanilino)-2-cyanoprop-2-enamide
Also Known As: N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide, AJ-030/12105967, (E)-N-butanoyl-3-(5-chloro-2-methylanilino)-2-cyanoprop-2-enamide
| Molecular Formula | C15H16ClN3O2 |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 2.9107 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0931 |
| Heavy Atoms | 21 |
| Complexity | 617.835 |
Chemical Identifiers
| CAS Number | 353286-29-0 |
|---|---|
| SMILES | CCCC(=O)NC(=O)/C(=C/NC1=C(C=CC(=C1)Cl)C)/C#N |
Product Overview
N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide (CAS 353286-29-0), with molecular formula C15H16ClN3O2 and molecular weight 305.09 g/mol. IUPAC: (E)-N-butanoyl-3-(5-chloro-2-methylanilino)-2-cyanoprop-2-enamide.
Chemical Property Profile of N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide
Property Insights of N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide
The XLogP value of 2.9107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide. Following Lipinski's Rule of Five, N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide has 2 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 N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide?
The CAS number of N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide is 353286-29-0.
What is the molecular formula of N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide?
The molecular formula of N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide is C15H16ClN3O2.
What is the molecular weight of N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide?
The molecular weight of N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide is 305.09 g/mol.
Where can I buy N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide?
You can request a quote for N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyryl-3-(5-chloro-2-methylanilino)-2-cyanoacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.