N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide
TL;DR: N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide (CAS 634162-38-2) is a chemical compound with molecular formula C12H14ClNO and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide
Also Known As: N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide, N-(5-chloro-2-methylphenyl)-3-methyl-2-butenamide
| Molecular Formula | C12H14ClNO |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.07639 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 634162-38-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)C=C(C)C |
| InChIKey | JBSNRMYAXLQMTJ-UHFFFAOYSA-N |
Product Overview
N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide (CAS 634162-38-2), with molecular formula C12H14ClNO and molecular weight 223.08 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide.
Chemical Property Profile of N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide
Property Insights of N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide
The XLogP value of 3.3 indicates that N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide has 1 hydrogen bond donor(s) and 1 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-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide?
The CAS number of N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide is 634162-38-2.
What is the molecular formula of N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide?
The molecular formula of N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide is C12H14ClNO.
What is the molecular weight of N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide?
The molecular weight of N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide is 223.08 g/mol.
Where can I buy N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide?
You can request a quote for N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.