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1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea
TL;DR: 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea (CAS 512808-39-8) is a chemical compound with molecular formula C13H14FN5OS and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea
Also Known As: 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea, 2-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-N-(4-fluorophenyl)hydrazinecarbothioamide
| Molecular Formula | C13H14FN5OS |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 1.49902 |
| Topological Polar Surface Area | 70.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.0903 |
| Heavy Atoms | 21 |
| Complexity | 667.7012 |
Chemical Identifiers
| CAS Number | 512808-39-8 |
|---|---|
| SMILES | CC1=NN(C=C1C(=O)NNC(=S)NC2=CC=C(C=C2)F)C |
Product Overview
1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea (CAS 512808-39-8), with molecular formula C13H14FN5OS and molecular weight 307.09 g/mol. IUPAC: 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea.
Chemical Property Profile of 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea
Property Insights of 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea
The XLogP value of 1.49902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea. The TPSA of 70.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea. Following Lipinski's Rule of Five, 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)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-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea?
The CAS number of 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea is 512808-39-8.
What is the molecular formula of 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea?
The molecular formula of 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea is C13H14FN5OS.
What is the molecular weight of 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea?
The molecular weight of 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea is 307.09 g/mol.
Where can I buy 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea?
You can request a quote for 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.