![1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea structure](/static/products/5128/512813-84-2.webp)
1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea
TL;DR: 1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea (CAS 512813-84-2) is a chemical compound with molecular formula C11H18ClN5OS and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]thiourea
Also Known As: 1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea, N-butyl-2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]hydrazinecarbothioamide, N~1~-BUTYL-2-[(4-CHLORO-1,3-DIMETHYL-1H-PYRAZOL-5-YL)CARBONYL]-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C11H18ClN5OS |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 1.29092 |
| Topological Polar Surface Area | 70.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.09207 |
| Heavy Atoms | 19 |
| Complexity | 473.89575 |
Chemical Identifiers
| CAS Number | 512813-84-2 |
|---|---|
| SMILES | CCCCNC(=S)NNC(=O)C1=C(C(=NN1C)C)Cl |
Product Overview
1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea (CAS 512813-84-2), with molecular formula C11H18ClN5OS and molecular weight 303.09 g/mol. IUPAC: 1-butyl-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]thiourea.
Chemical Property Profile of 1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea
Property Insights of 1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea
The XLogP value of 1.29092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-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-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea. Following Lipinski's Rule of Five, 1-butyl-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-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
The CAS number of 1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea is 512813-84-2.
What is the molecular formula of 1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
The molecular formula of 1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea is C11H18ClN5OS.
What is the molecular weight of 1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
The molecular weight of 1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea is 303.09 g/mol.
Where can I buy 1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
You can request a quote for 1-butyl-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-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.