![4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide structure](/static/products/5128/512807-55-5.webp)
4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide
TL;DR: 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide (CAS 512807-55-5) is a chemical compound with molecular formula C13H12ClIN4OS and molecular weight 433.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-1-methylpyrazole-5-carboxamide
Also Known As: 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide, 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-1-methyl-1H-pyrazole-5-carboxamide, N-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-N'-(4-iodo-2-methylphenyl)thiourea
| Molecular Formula | C13H12ClIN4OS |
|---|---|
| Molecular Weight | 433.95 g/mol |
| LogP | 3.11332 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.9465 |
| Heavy Atoms | 21 |
| Complexity | 696.69196 |
Chemical Identifiers
| CAS Number | 512807-55-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=C(C=NN2C)Cl |
Product Overview
4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide (CAS 512807-55-5), with molecular formula C13H12ClIN4OS and molecular weight 433.95 g/mol. IUPAC: 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-1-methylpyrazole-5-carboxamide.
Chemical Property Profile of 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide
Property Insights of 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide
The XLogP value of 3.11332 indicates that 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.95 Ų, 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide has 2 hydrogen bond donor(s) and 3 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-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide?
The CAS number of 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide is 512807-55-5.
What is the molecular formula of 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide?
The molecular formula of 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide is C13H12ClIN4OS.
What is the molecular weight of 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide?
The molecular weight of 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide is 433.95 g/mol.
Where can I buy 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide?
You can request a quote for 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-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-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.