![2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide structure](/static/products/853/853574-44-4.png)
2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide
TL;DR: 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide (CAS 853574-44-4) is a chemical compound with molecular formula C12H13ClN2OS and molecular weight 268.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]acetamide
Also Known As: 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide, 2-CHLORO-N-(2-{[(2-CYANOPHENYL)METHYL]SULFANYL}ETHYL)ACETAMIDE, 2-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]acetamide, 2-Chloro-n-(2-((2-cyanobenzyl)thio)ethyl)acetamide
| Molecular Formula | C12H13ClN2OS |
|---|---|
| Molecular Weight | 268.04 g/mol |
| LogP | 2.14648 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.0437 |
| Heavy Atoms | 17 |
| Complexity | 417.21182 |
Chemical Identifiers
| CAS Number | 853574-44-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSCCNC(=O)CCl)C#N |
Product Overview
2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide (CAS 853574-44-4), with molecular formula C12H13ClN2OS and molecular weight 268.04 g/mol. IUPAC: 2-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]acetamide.
Chemical Property Profile of 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide
Property Insights of 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide
The XLogP value of 2.14648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide. With a topological polar surface area (TPSA) of 52.89 Ų, 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide 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 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide?
The CAS number of 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide is 853574-44-4.
What is the molecular formula of 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide?
The molecular formula of 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide is C12H13ClN2OS.
What is the molecular weight of 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide?
The molecular weight of 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide is 268.04 g/mol.
Where can I buy 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide?
You can request a quote for 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}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-[(2-cyanobenzyl)thio]ethyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{2-[(2-cyanobenzyl)thio]ethyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.