![N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide structure](/static/products/5158/515872-70-5.webp)
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide
TL;DR: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide (CAS 515872-70-5) is a chemical compound with molecular formula C24H30N2O2S and molecular weight 410.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide
Also Known As: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide, 2-(3,5-dimethylphenoxy)-N-[6-(1,1-dimethylpropyl)-3-cyano(4,5,6,7-tetrahydrobe nzo[b]thiophen-2-yl)]acetamide, N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(3,5-dimethylphenoxy)acetamide, N-[3-CYANO-6-(2-METHYL-2-BUTANYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-2-(3,5-DIMETHYLPHENOXY)ACETAMIDE
| Molecular Formula | C24H30N2O2S |
|---|---|
| Molecular Weight | 410.20 g/mol |
| LogP | 5.79522 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.2028 |
| Heavy Atoms | 29 |
| Complexity | 932.27075 |
Chemical Identifiers
| CAS Number | 515872-70-5 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=CC(=CC(=C3)C)C |
Product Overview
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide (CAS 515872-70-5), with molecular formula C24H30N2O2S and molecular weight 410.20 g/mol. IUPAC: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide.
Chemical Property Profile of N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide
Property Insights of N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide
The XLogP value of 5.79522 indicates that N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)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 N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide. Following Lipinski's Rule of Five, N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)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 N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide?
The CAS number of N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide is 515872-70-5.
What is the molecular formula of N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide?
The molecular formula of N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide is C24H30N2O2S.
What is the molecular weight of N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide?
The molecular weight of N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide is 410.20 g/mol.
Where can I buy N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide?
You can request a quote for N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)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-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.