2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide
TL;DR: 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide (CAS 731001-91-5) 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.
[4-[(2-chloroacetyl)amino]-3-ethyl-5-methylphenyl] thiocyanate
Also Known As: 2-chloro-N-[4-(cyanosulfanyl)-2-ethyl-6-methylphenyl]acetamide, 4-[(chloroacetyl)amino]-3-ethyl-5-methylphenyl thiocyanate, [4-[(2-chloroacetyl)amino]-3-ethyl-5-methylphenyl] thiocyanate, [4-[(2-chloroacetyl)amino]-3-ethyl-5-methyl-phenyl] thiocyanate, 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide
| Molecular Formula | C12H13ClN2OS |
|---|---|
| Molecular Weight | 268.04 g/mol |
| LogP | 3.3079 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.0437 |
| Heavy Atoms | 17 |
| Complexity | 468.3088 |
Chemical Identifiers
| CAS Number | 731001-91-5 |
|---|---|
| SMILES | CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)CCl |
Product Overview
2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide (CAS 731001-91-5), with molecular formula C12H13ClN2OS and molecular weight 268.04 g/mol. IUPAC: [4-[(2-chloroacetyl)amino]-3-ethyl-5-methylphenyl] thiocyanate.
Chemical Property Profile of 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide
Property Insights of 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide
The XLogP value of 3.3079 indicates that 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)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-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide?
The CAS number of 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide is 731001-91-5.
What is the molecular formula of 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide?
The molecular formula of 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide is C12H13ClN2OS.
What is the molecular weight of 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide?
The molecular weight of 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide is 268.04 g/mol.
Where can I buy 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide?
You can request a quote for 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-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-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(4-(cyanosulfanyl)-2-ethyl-6-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.