![4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide structure](/static/products/4924/492425-82-8.webp)
4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
TL;DR: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide (CAS 492425-82-8) is a chemical compound with molecular formula C21H18BrN5OS2 and molecular weight 499.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
Also Known As: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide, 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide, N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea, N-{4-[(4-BROMO-1H-PYRAZOL-1-YL)METHYL]BENZOYL}-N'-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)THIOUREA
| Molecular Formula | C21H18BrN5OS2 |
|---|---|
| Molecular Weight | 499.01 g/mol |
| LogP | 4.63268 |
| Topological Polar Surface Area | 82.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.0136 |
| Heavy Atoms | 30 |
| Complexity | 1143.3511 |
Chemical Identifiers
| CAS Number | 492425-82-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br)C#N |
Product Overview
4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide (CAS 492425-82-8), with molecular formula C21H18BrN5OS2 and molecular weight 499.01 g/mol. IUPAC: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide.
Chemical Property Profile of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
Property Insights of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
The XLogP value of 4.63268 indicates that 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide 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-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide 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-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide?
The CAS number of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide is 492425-82-8.
What is the molecular formula of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide?
The molecular formula of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide is C21H18BrN5OS2.
What is the molecular weight of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide?
The molecular weight of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide is 499.01 g/mol.
Where can I buy 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide?
You can request a quote for 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.