![6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/6407/640757-52-4.webp)
6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 640757-52-4) is a chemical compound with molecular formula C22H27N3O2S2 and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-[(3-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-tert-butyl-2-[(3-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H27N3O2S2 |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 4.43322 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.15448 |
| Heavy Atoms | 29 |
| Complexity | 972.92236 |
Chemical Identifiers
| CAS Number | 640757-52-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N |
Product Overview
6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 640757-52-4), with molecular formula C22H27N3O2S2 and molecular weight 429.15 g/mol. IUPAC: 6-tert-butyl-2-[(3-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 4.43322 indicates that 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}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 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 3 hydrogen bond donor(s) and 4 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 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 640757-52-4.
What is the molecular formula of 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C22H27N3O2S2.
What is the molecular weight of 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 429.15 g/mol.
Where can I buy 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}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 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.