1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
TL;DR: 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea (CAS 324577-83-5) is a chemical compound with molecular formula C16H22N4OS and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
Also Known As: BIM-0026898.P001, 1-tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea, F0807-0168, (Z)-N-tert-butyl-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamimidothioic acid, (Z)-N-(tert-butyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamimidothioic acid
| Molecular Formula | C16H22N4OS |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 2.56932 |
| Topological Polar Surface Area | 50.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.15143 |
| Heavy Atoms | 22 |
| Complexity | 737.9868 |
Chemical Identifiers
| CAS Number | 324577-83-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(C)(C)C |
Product Overview
1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea (CAS 324577-83-5), with molecular formula C16H22N4OS and molecular weight 318.15 g/mol. IUPAC: 1-tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea.
Chemical Property Profile of 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
Property Insights of 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
The XLogP value of 2.56932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea. With a topological polar surface area (TPSA) of 50.99 Ų, 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-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-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea?
The CAS number of 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea is 324577-83-5.
What is the molecular formula of 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea?
The molecular formula of 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea is C16H22N4OS.
What is the molecular weight of 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea?
The molecular weight of 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea is 318.15 g/mol.
Where can I buy 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea?
You can request a quote for 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-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-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.