C16H21ClN2OS
TL;DR: C16H21ClN2OS (CAS 50536-49-7) is a chemical compound with molecular formula C16H21ClN2OS and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
Also Known As: 2-chloro-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]acetamide, 2-chloro-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide, 4,5-Dimethoxy-1H-indole-2-carboxylic acid, 2-Chloro-N-(3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide, 2-Chloro-N-[3-cyano-6-(1,1-dimethyl-propyl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl]-acetamide
| Molecular Formula | C16H21ClN2OS |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 4.33818 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.10632 |
| Heavy Atoms | 21 |
| Complexity | 585.8328 |
Chemical Identifiers
| CAS Number | 50536-49-7 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCl |
Product Overview
C16H21ClN2OS (CAS 50536-49-7), with molecular formula C16H21ClN2OS and molecular weight 324.11 g/mol. IUPAC: 2-chloro-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide.
Chemical Property Profile of C16H21ClN2OS
Property Insights of C16H21ClN2OS
The XLogP value of 4.33818 indicates that C16H21ClN2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, C16H21ClN2OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H21ClN2OS 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 C16H21ClN2OS?
The CAS number of C16H21ClN2OS is 50536-49-7.
What is the molecular formula of C16H21ClN2OS?
The molecular formula of C16H21ClN2OS is C16H21ClN2OS.
What is the molecular weight of C16H21ClN2OS?
The molecular weight of C16H21ClN2OS is 324.11 g/mol.
Where can I buy C16H21ClN2OS?
You can request a quote for C16H21ClN2OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H21ClN2OS?
Yes, KEHONG BIO provides custom synthesis services for C16H21ClN2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.