3-(4-Antipyrinyl)-1-phenyl-2-thiourea
TL;DR: 3-(4-Antipyrinyl)-1-phenyl-2-thiourea (CAS 51641-29-3) is a chemical compound with molecular formula C18H18N4OS and molecular weight 338.12 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-phenylthiourea
Also Known As: 3-(4-Antipyrinyl)-1-phenyl-2-thiourea, 3-Antipyrinyl-1-phenylthiourea, 1-Phenyl-3-(4-antipyryl)-2-thiourea, Urea, 3-(4-antipyrinyl)-1-phenyl-2-thio-, 4-25-00-03585 (Beilstein Handbook Reference)
| Molecular Formula | C18H18N4OS |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.12012 |
| Heavy Atoms | 24 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 51641-29-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3 |
| InChIKey | YGXLLLUEADCXET-UHFFFAOYSA-N |
Product Overview
3-(4-Antipyrinyl)-1-phenyl-2-thiourea (CAS 51641-29-3), with molecular formula C18H18N4OS and molecular weight 338.12 g/mol. IUPAC: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylthiourea.
Chemical Property Profile of 3-(4-Antipyrinyl)-1-phenyl-2-thiourea
Property Insights of 3-(4-Antipyrinyl)-1-phenyl-2-thiourea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Antipyrinyl)-1-phenyl-2-thiourea. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Antipyrinyl)-1-phenyl-2-thiourea. Following Lipinski's Rule of Five, 3-(4-Antipyrinyl)-1-phenyl-2-thiourea has 2 hydrogen bond donor(s) and 3 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 3-(4-Antipyrinyl)-1-phenyl-2-thiourea?
The CAS number of 3-(4-Antipyrinyl)-1-phenyl-2-thiourea is 51641-29-3.
What is the molecular formula of 3-(4-Antipyrinyl)-1-phenyl-2-thiourea?
The molecular formula of 3-(4-Antipyrinyl)-1-phenyl-2-thiourea is C18H18N4OS.
What is the molecular weight of 3-(4-Antipyrinyl)-1-phenyl-2-thiourea?
The molecular weight of 3-(4-Antipyrinyl)-1-phenyl-2-thiourea is 338.12 g/mol.
Where can I buy 3-(4-Antipyrinyl)-1-phenyl-2-thiourea?
You can request a quote for 3-(4-Antipyrinyl)-1-phenyl-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Antipyrinyl)-1-phenyl-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Antipyrinyl)-1-phenyl-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.