![4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide structure](/static/products/4947/494745-66-3.webp)
4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide
TL;DR: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide (CAS 494745-66-3) is a chemical compound with molecular formula C18H13BrClN5O3S and molecular weight 492.96 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-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide
Also Known As: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide, 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide, N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-{2-chloro-4-nitrophenyl}thiourea, N-{4-[(4-BROMO-1H-PYRAZOL-1-YL)METHYL]BENZOYL}-N'-(2-CHLORO-4-NITROPHENYL)THIOUREA
| Molecular Formula | C18H13BrClN5O3S |
|---|---|
| Molecular Weight | 492.96 g/mol |
| LogP | 4.3823 |
| Topological Polar Surface Area | 102.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.9611 |
| Heavy Atoms | 29 |
| Complexity | 1087.3556 |
Chemical Identifiers
| CAS Number | 494745-66-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide (CAS 494745-66-3), with molecular formula C18H13BrClN5O3S and molecular weight 492.96 g/mol. IUPAC: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide
Property Insights of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 4.3823 indicates that 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)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-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide is 494745-66-3.
What is the molecular formula of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide is C18H13BrClN5O3S.
What is the molecular weight of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide is 492.96 g/mol.
Where can I buy 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)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-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.