![2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide structure](/static/products/7330/733044-91-2.webp)
2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide
TL;DR: 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide (CAS 733044-91-2) is a chemical compound with molecular formula C23H23ClN2O2S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-cyano-5-[(E)-2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophen-2-yl]acetamide
Also Known As: 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide, 2-chloro-N-{3-cyano-5-[(1E)-2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide, 2-Chloro-N-{3-cyano-5-[2-(4-ethoxy-phenyl)-vinyl]-7,7-dimethyl-6,7-dihydro-benzo[b]thiophen-2-yl}-acetamide, 2-Chloro-N-(3-cyano-5-(4-ethoxystyryl)-7,7-dimethyl-6,7-dihydrobenzo[b]thiophen-2-yl)acetamide, 2-chloro-N-[3-cyano-5-[(E)-2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophen-2-yl]acetamide
| Molecular Formula | C23H23ClN2O2S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 5.97388 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.11688 |
| Heavy Atoms | 29 |
| Complexity | 1010.7342 |
Chemical Identifiers
| CAS Number | 733044-91-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=C/C2=CC3=C(C(C2)(C)C)SC(=C3C#N)NC(=O)CCl |
Product Overview
2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide (CAS 733044-91-2), with molecular formula C23H23ClN2O2S and molecular weight 426.12 g/mol. IUPAC: 2-chloro-N-[3-cyano-5-[(E)-2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophen-2-yl]acetamide.
Chemical Property Profile of 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide
Property Insights of 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide
The XLogP value of 5.97388 indicates that 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide. Following Lipinski's Rule of Five, 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide?
The CAS number of 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide is 733044-91-2.
What is the molecular formula of 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide?
The molecular formula of 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide is C23H23ClN2O2S.
What is the molecular weight of 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide?
The molecular weight of 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide is 426.12 g/mol.
Where can I buy 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide?
You can request a quote for 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-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-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophen-2-yl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.