![1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea structure](/static/products/1005/1005564-21-5.webp)
1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
TL;DR: 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea (CAS 1005564-21-5) is a chemical compound with molecular formula C18H23F3N4S and molecular weight 384.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
Also Known As: 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea, 1-butan-2-yl-3-{3,5-dimethyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}thiourea, 3-butan-2-yl-1-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea, N-(SEC-BUTYL)-N'-{3,5-DIMETHYL-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-PYRAZOL-4-YL}THIOUREA
| Molecular Formula | C18H23F3N4S |
|---|---|
| Molecular Weight | 384.16 g/mol |
| LogP | 4.65194 |
| Topological Polar Surface Area | 41.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.15955 |
| Heavy Atoms | 26 |
| Complexity | 783.22876 |
Chemical Identifiers
| CAS Number | 1005564-21-5 |
|---|---|
| SMILES | CCC(C)NC(=S)NC1=C(N(N=C1C)CC2=CC(=CC=C2)C(F)(F)F)C |
Product Overview
1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea (CAS 1005564-21-5), with molecular formula C18H23F3N4S and molecular weight 384.16 g/mol. IUPAC: 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea.
Chemical Property Profile of 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
Property Insights of 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
The XLogP value of 4.65194 indicates that 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]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, 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]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 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea?
The CAS number of 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea is 1005564-21-5.
What is the molecular formula of 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea?
The molecular formula of 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea is C18H23F3N4S.
What is the molecular weight of 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea?
The molecular weight of 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea is 384.16 g/mol.
Where can I buy 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea?
You can request a quote for 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]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 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-butan-2-yl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.