1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
TL;DR: 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea (CAS 1005663-48-8) is a chemical compound with molecular formula C12H12F2N4S and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
Also Known As: 1-(2,5-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea, 3-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)thiourea, 1-(2,5-difluorophenyl)-3-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea, N-(2,5-DIFLUOROPHENYL)-N'-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)THIOUREA
| Molecular Formula | C12H12F2N4S |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 2.81562 |
| Topological Polar Surface Area | 41.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.07507 |
| Heavy Atoms | 19 |
| Complexity | 624.1871 |
Chemical Identifiers
| CAS Number | 1005663-48-8 |
|---|---|
| SMILES | CC1=NN(C=C1NC(=S)NC2=C(C=CC(=C2)F)F)C |
Product Overview
1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea (CAS 1005663-48-8), with molecular formula C12H12F2N4S and molecular weight 282.08 g/mol. IUPAC: 1-(2,5-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea.
Chemical Property Profile of 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
Property Insights of 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
The XLogP value of 2.81562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea. With a topological polar surface area (TPSA) of 41.88 Ų, 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea has 2 hydrogen bond donor(s) and 2 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-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The CAS number of 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea is 1005663-48-8.
What is the molecular formula of 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The molecular formula of 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea is C12H12F2N4S.
What is the molecular weight of 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The molecular weight of 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea is 282.08 g/mol.
Where can I buy 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea?
You can request a quote for 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.