![4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide structure](/static/products/4942/494205-68-4.webp)
4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide
TL;DR: 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide (CAS 494205-68-4) is a chemical compound with molecular formula C17H18BrN5OS2 and molecular weight 451.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-dimethylpyrazole-5-carboxamide
Also Known As: 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide, 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide, N-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea, N-[(4-BROMO-1,3-DIMETHYL-1H-PYRAZOL-5-YL)CARBONYL]-N'-(3-CYANO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)THIOUREA
| Molecular Formula | C17H18BrN5OS2 |
|---|---|
| Molecular Weight | 451.01 g/mol |
| LogP | 3.6758 |
| Topological Polar Surface Area | 82.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.0136 |
| Heavy Atoms | 26 |
| Complexity | 940.0806 |
Chemical Identifiers
| CAS Number | 494205-68-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C(=NN3C)C)Br |
Product Overview
4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide (CAS 494205-68-4), with molecular formula C17H18BrN5OS2 and molecular weight 451.01 g/mol. IUPAC: 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-dimethylpyrazole-5-carboxamide.
Chemical Property Profile of 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide
Property Insights of 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide
The XLogP value of 3.6758 indicates that 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide has 2 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 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide?
The CAS number of 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide is 494205-68-4.
What is the molecular formula of 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide?
The molecular formula of 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide is C17H18BrN5OS2.
What is the molecular weight of 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide?
The molecular weight of 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide is 451.01 g/mol.
Where can I buy 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide?
You can request a quote for 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.