J1.454.013J
TL;DR: J1.454.013J (CAS 329350-89-2) is a chemical compound with molecular formula C18H19N3OS and molecular weight 325.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
Also Known As: J1.454.013J, AO-081/15245197, 3-(4-methoxyphenyl)-2-phenyltetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione, 1-(4-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione, 3-(4-methoxyphenyl)-2-phenyl-hexahydropyrazolo[1,2-a][1,2,4]triazole-1-thione
| Molecular Formula | C18H19N3OS |
|---|---|
| Molecular Weight | 325.12 g/mol |
| LogP | 3.4216 |
| Topological Polar Surface Area | 18.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.12488 |
| Heavy Atoms | 23 |
| Complexity | 703.96643 |
Chemical Identifiers
| CAS Number | 329350-89-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2N3CCCN3C(=S)N2C4=CC=CC=C4 |
Product Overview
J1.454.013J (CAS 329350-89-2), with molecular formula C18H19N3OS and molecular weight 325.12 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione.
Chemical Property Profile of J1.454.013J
Property Insights of J1.454.013J
The XLogP value of 3.4216 indicates that J1.454.013J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.95 Ų, J1.454.013J exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J1.454.013J has 0 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 J1.454.013J?
The CAS number of J1.454.013J is 329350-89-2.
What is the molecular formula of J1.454.013J?
The molecular formula of J1.454.013J is C18H19N3OS.
What is the molecular weight of J1.454.013J?
The molecular weight of J1.454.013J is 325.12 g/mol.
Where can I buy J1.454.013J?
You can request a quote for J1.454.013J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.454.013J?
Yes, KEHONG BIO provides custom synthesis services for J1.454.013J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.