N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide
TL;DR: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide (CAS 445025-47-8) is a chemical compound with molecular formula C23H28N2O2S and molecular weight 396.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide
Also Known As: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide, 2-(3,4-dimethylphenoxy)-N-(3-cyano-6-ethyl(4,5,6,7-tetrahydrobenzo[b]thiophen- 2-yl))butanamide, N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(3,4-dimethylphenoxy)butanamide
| Molecular Formula | C23H28N2O2S |
|---|---|
| Molecular Weight | 396.19 g/mol |
| LogP | 5.54762 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.18716 |
| Heavy Atoms | 28 |
| Complexity | 910.05664 |
Chemical Identifiers
| CAS Number | 445025-47-8 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(CC)OC3=CC(=C(C=C3)C)C |
Product Overview
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide (CAS 445025-47-8), with molecular formula C23H28N2O2S and molecular weight 396.19 g/mol. IUPAC: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide.
Chemical Property Profile of N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide
Property Insights of N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide
The XLogP value of 5.54762 indicates that N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide 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 N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide. Following Lipinski's Rule of Five, N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide 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 N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide?
The CAS number of N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide is 445025-47-8.
What is the molecular formula of N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide?
The molecular formula of N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide is C23H28N2O2S.
What is the molecular weight of N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide?
The molecular weight of N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide is 396.19 g/mol.
Where can I buy N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide?
You can request a quote for N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide 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-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenoxy)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.