![2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide structure](/static/products/7337/733759-44-9.webp)
2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide
TL;DR: 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide (CAS 733759-44-9) is a chemical compound with molecular formula C20H18ClN3OS and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-cyano-7,7-dimethyl-5-[(E)-2-pyridin-2-ylethenyl]-6H-1-benzothiophen-2-yl]acetamide
Also Known As: 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide, 2-chloro-N-[3-cyano-7,7-dimethyl-5-[(E)-2-pyridin-2-ylethenyl]-6H-1-benzothiophen-2-yl]acetamide
| Molecular Formula | C20H18ClN3OS |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 4.97018 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.0859 |
| Heavy Atoms | 26 |
| Complexity | 935.9562 |
Chemical Identifiers
| CAS Number | 733759-44-9 |
|---|---|
| SMILES | CC1(CC(=CC2=C1SC(=C2C#N)NC(=O)CCl)/C=C/C3=CC=CC=N3)C |
Product Overview
2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide (CAS 733759-44-9), with molecular formula C20H18ClN3OS and molecular weight 383.09 g/mol. IUPAC: 2-chloro-N-[3-cyano-7,7-dimethyl-5-[(E)-2-pyridin-2-ylethenyl]-6H-1-benzothiophen-2-yl]acetamide.
Chemical Property Profile of 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide
Property Insights of 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide
The XLogP value of 4.97018 indicates that 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide. Following Lipinski's Rule of Five, 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide has 1 hydrogen bond donor(s) and 4 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-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide?
The CAS number of 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide is 733759-44-9.
What is the molecular formula of 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide?
The molecular formula of 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide is C20H18ClN3OS.
What is the molecular weight of 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide?
The molecular weight of 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide is 383.09 g/mol.
Where can I buy 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide?
You can request a quote for 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}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-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{3-cyano-7,7-dimethyl-5-[(1E)-2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.