3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide
TL;DR: 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide (CAS 866018-18-0) is a chemical compound with molecular formula C14H17ClN2OS and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide
Also Known As: 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide, 4T-0910, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,2-dimethyl-propanamide
| Molecular Formula | C14H17ClN2OS |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 3.70208 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.075 |
| Heavy Atoms | 19 |
| Complexity | 542.3762 |
Chemical Identifiers
| CAS Number | 866018-18-0 |
|---|---|
| SMILES | CC(C)(CCl)C(=O)NC1=C(C2=C(S1)CCCC2)C#N |
Product Overview
3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide (CAS 866018-18-0), with molecular formula C14H17ClN2OS and molecular weight 296.07 g/mol. IUPAC: 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide.
Chemical Property Profile of 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide
Property Insights of 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide
The XLogP value of 3.70208 indicates that 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide 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 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide?
The CAS number of 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide is 866018-18-0.
What is the molecular formula of 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide?
The molecular formula of 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide is C14H17ClN2OS.
What is the molecular weight of 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide?
The molecular weight of 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide is 296.07 g/mol.
Where can I buy 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide?
You can request a quote for 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.