2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
TL;DR: 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide (CAS 16231-49-5) is a chemical compound with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
Also Known As: 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide, 2-Chloro-N-(2-cyanoethyl)-N-(p-tolyl)acetamide
| Molecular Formula | C12H13ClN2O |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 2.4805 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.07164 |
| Heavy Atoms | 16 |
| Complexity | 394.47495 |
Chemical Identifiers
| CAS Number | 16231-49-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CCC#N)C(=O)CCl |
Product Overview
2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide (CAS 16231-49-5), with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol. IUPAC: 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide.
Chemical Property Profile of 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
Property Insights of 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
The XLogP value of 2.4805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide. With a topological polar surface area (TPSA) of 44.1 Ų, 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide has 0 hydrogen bond donor(s) and 2 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 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
The CAS number of 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide is 16231-49-5.
What is the molecular formula of 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
The molecular formula of 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide is C12H13ClN2O.
What is the molecular weight of 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
The molecular weight of 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide is 236.07 g/mol.
Where can I buy 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
You can request a quote for 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.