![1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea structure](/static/products/5128/512812-89-4.webp)
1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea
TL;DR: 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea (CAS 512812-89-4) is a chemical compound with molecular formula C14H16ClN5OS and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]thiourea
Also Known As: 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea, N-benzyl-2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]hydrazinecarbothioamide, 1-benzyl-3-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)amino]thiourea, 1-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-(phenylmethyl)thiourea, 1-[[(4-chloro-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(phenylmethyl)thiourea
| Molecular Formula | C14H16ClN5OS |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 1.69102 |
| Topological Polar Surface Area | 70.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.07642 |
| Heavy Atoms | 22 |
| Complexity | 686.0417 |
Chemical Identifiers
| CAS Number | 512812-89-4 |
|---|---|
| SMILES | CC1=NN(C(=C1Cl)C(=O)NNC(=S)NCC2=CC=CC=C2)C |
Product Overview
1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea (CAS 512812-89-4), with molecular formula C14H16ClN5OS and molecular weight 337.08 g/mol. IUPAC: 1-benzyl-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]thiourea.
Chemical Property Profile of 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea
Property Insights of 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea
The XLogP value of 1.69102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea. The TPSA of 70.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea. Following Lipinski's Rule of Five, 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-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-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
The CAS number of 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea is 512812-89-4.
What is the molecular formula of 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
The molecular formula of 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea is C14H16ClN5OS.
What is the molecular weight of 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
The molecular weight of 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea is 337.08 g/mol.
Where can I buy 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
You can request a quote for 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-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-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.