N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide (CAS 5772-20-3) is a chemical compound with molecular formula C21H24N2O3S and molecular weight 384.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide
Also Known As: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide, A2822/0119169, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(3,4-diethoxyphenyl)acetamide, 2-(3,4-diethoxyphenyl)-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))ace tamide, N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(3,4-diethoxy-phenyl)-acetamide
| Molecular Formula | C21H24N2O3S |
|---|---|
| Molecular Weight | 384.15 g/mol |
| LogP | 4.47718 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.15076 |
| Heavy Atoms | 27 |
| Complexity | 867.0422 |
Chemical Identifiers
| CAS Number | 5772-20-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)OCC |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide (CAS 5772-20-3), with molecular formula C21H24N2O3S and molecular weight 384.15 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide
The XLogP value of 4.47718 indicates that N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 5 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 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide is 5772-20-3.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide is C21H24N2O3S.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide is 384.15 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.