1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea
TL;DR: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea (CAS 21487-32-1) is a chemical compound with molecular formula C18H26N4OS and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hexylthiourea
Also Known As: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea, 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hexylthiourea, F0300-0176, 4-{[(hexylamino)thioxomethyl]amino}-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
| Molecular Formula | C18H26N4OS |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 3.35112 |
| Topological Polar Surface Area | 50.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.18274 |
| Heavy Atoms | 24 |
| Complexity | 733.4673 |
Chemical Identifiers
| CAS Number | 21487-32-1 |
|---|---|
| SMILES | CCCCCCNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C |
Product Overview
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea (CAS 21487-32-1), with molecular formula C18H26N4OS and molecular weight 346.18 g/mol. IUPAC: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hexylthiourea.
Chemical Property Profile of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea
Property Insights of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea
The XLogP value of 3.35112 indicates that 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.99 Ų, 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea 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-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea?
The CAS number of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea is 21487-32-1.
What is the molecular formula of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea?
The molecular formula of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea is C18H26N4OS.
What is the molecular weight of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea?
The molecular weight of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea is 346.18 g/mol.
Where can I buy 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea?
You can request a quote for 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.