![5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide structure](/static/products/4947/494746-33-7.webp)
5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
TL;DR: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide (CAS 494746-33-7) is a chemical compound with molecular formula C17H14ClN5O4S and molecular weight 419.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
Also Known As: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide, 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide, N-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}-N'-{5-nitro-2-methylphenyl}thiourea, 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]furan-2-carboxamide, N-({5-[(4-CHLORO-1H-PYRAZOL-1-YL)METHYL]-2-FURYL}CARBONYL)-N'-(2-METHYL-5-NITROPHENYL)THIOUREA
| Molecular Formula | C17H14ClN5O4S |
|---|---|
| Molecular Weight | 419.05 g/mol |
| LogP | 3.52122 |
| Topological Polar Surface Area | 115.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.0455 |
| Heavy Atoms | 28 |
| Complexity | 1061.5074 |
Chemical Identifiers
| CAS Number | 494746-33-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl |
Product Overview
5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide (CAS 494746-33-7), with molecular formula C17H14ClN5O4S and molecular weight 419.05 g/mol. IUPAC: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide.
Chemical Property Profile of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
Property Insights of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
The XLogP value of 3.52122 indicates that 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide. Following Lipinski's Rule of Five, 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-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 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide?
The CAS number of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide is 494746-33-7.
What is the molecular formula of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide?
The molecular formula of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide is C17H14ClN5O4S.
What is the molecular weight of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide?
The molecular weight of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide is 419.05 g/mol.
Where can I buy 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide?
You can request a quote for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.