1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea
TL;DR: 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea (CAS 21487-33-2) is a chemical compound with molecular formula C15H18N4OS and molecular weight 302.12 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-prop-2-enylthiourea
Also Known As: BAS 00344454, BIM-0025251.P001, AB00089995-01, N-allyl-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea, 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-prop-2-enylthiourea
| Molecular Formula | C15H18N4OS |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 1.95682 |
| Topological Polar Surface Area | 50.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.12012 |
| Heavy Atoms | 21 |
| Complexity | 715.26514 |
Chemical Identifiers
| CAS Number | 21487-33-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC=C |
Product Overview
1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea (CAS 21487-33-2), with molecular formula C15H18N4OS and molecular weight 302.12 g/mol. IUPAC: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-prop-2-enylthiourea.
Chemical Property Profile of 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea
Property Insights of 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea
The XLogP value of 1.95682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea. With a topological polar surface area (TPSA) of 50.99 Ų, 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-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 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea?
The CAS number of 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea is 21487-33-2.
What is the molecular formula of 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea?
The molecular formula of 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea is C15H18N4OS.
What is the molecular weight of 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea?
The molecular weight of 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea is 302.12 g/mol.
Where can I buy 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea?
You can request a quote for 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-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 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.