N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea
TL;DR: N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea (CAS 1005641-23-5) is a chemical compound with molecular formula C12H12BrFN4S and molecular weight 342.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-2-fluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
Also Known As: N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea, 1-(4-bromo-2-fluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea, 3-(4-bromo-2-fluoro-phenyl)-1-(1,3-dimethylpyrazol-4-yl)thiourea, 1-(4-bromo-2-fluorophenyl)-3-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea, N-(4-Bromo-2-fluorophenyl)-Na(2)-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea
| Molecular Formula | C12H12BrFN4S |
|---|---|
| Molecular Weight | 342.00 g/mol |
| LogP | 3.43902 |
| Topological Polar Surface Area | 41.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.995 |
| Heavy Atoms | 19 |
| Complexity | 626.1871 |
Chemical Identifiers
| CAS Number | 1005641-23-5 |
|---|---|
| SMILES | CC1=NN(C=C1NC(=S)NC2=C(C=C(C=C2)Br)F)C |
Product Overview
N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea (CAS 1005641-23-5), with molecular formula C12H12BrFN4S and molecular weight 342.00 g/mol. IUPAC: 1-(4-bromo-2-fluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea.
Chemical Property Profile of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea
Property Insights of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea
The XLogP value of 3.43902 indicates that N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.88 Ų, N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-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 N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea?
The CAS number of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea is 1005641-23-5.
What is the molecular formula of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea?
The molecular formula of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea is C12H12BrFN4S.
What is the molecular weight of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea?
The molecular weight of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea is 342.00 g/mol.
Where can I buy N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea?
You can request a quote for N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-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 N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.