![1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea structure](/static/products/5128/512809-06-2.webp)
1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea
TL;DR: 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea (CAS 512809-06-2) is a chemical compound with molecular formula C13H14ClN5OS and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea
Also Known As: 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea, N-(4-chlorophenyl)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]hydrazinecarbothioamide
| Molecular Formula | C13H14ClN5OS |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 2.01332 |
| Topological Polar Surface Area | 70.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.06076 |
| Heavy Atoms | 21 |
| Complexity | 667.7012 |
Chemical Identifiers
| CAS Number | 512809-06-2 |
|---|---|
| SMILES | CC1=NN(C=C1C(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C |
Product Overview
1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea (CAS 512809-06-2), with molecular formula C13H14ClN5OS and molecular weight 323.06 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea.
Chemical Property Profile of 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea
Property Insights of 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea
The XLogP value of 2.01332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea. The TPSA of 70.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea has 3 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 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea?
The CAS number of 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea is 512809-06-2.
What is the molecular formula of 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea?
The molecular formula of 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea is C13H14ClN5OS.
What is the molecular weight of 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea?
The molecular weight of 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea is 323.06 g/mol.
Where can I buy 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea?
You can request a quote for 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.