![2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/5226/522651-49-6.webp)
2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 522651-49-6) is a chemical compound with molecular formula C19H24N4O2S2 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{2-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]BUTANAMIDO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[2-(4,6-dimethylpyrimidin-2-ylthio)butanoylamino]-4,5,6,7-tetrahydrobenzo[b] thiophene-3-carboxamide, Benzo[b]thiophene-3-carboxamide, 2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-
| Molecular Formula | C19H24N4O2S2 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 3.64204 |
| Topological Polar Surface Area | 97.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.13406 |
| Heavy Atoms | 27 |
| Complexity | 858.5849 |
Chemical Identifiers
| CAS Number | 522651-49-6 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)SC3=NC(=CC(=N3)C)C |
Product Overview
2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 522651-49-6), with molecular formula C19H24N4O2S2 and molecular weight 404.13 g/mol. IUPAC: 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 3.64204 indicates that 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 6 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-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 522651-49-6.
What is the molecular formula of 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C19H24N4O2S2.
What is the molecular weight of 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 404.13 g/mol.
Where can I buy 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.