4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one
TL;DR: 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one (CAS 174573-91-2) is a chemical compound with molecular formula C15H13N3OS and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: BAS 02833321, J3.036.499F, 4-(4-benzyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol, 4-benzyl-5-(4-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 2,4-Dihydro-5-(4-hydroxyphenyl)-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione
| Molecular Formula | C15H13N3OS |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 3.36159 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.07794 |
| Heavy Atoms | 20 |
| Complexity | 759.8176 |
Chemical Identifiers
| CAS Number | 174573-91-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)O |
Product Overview
4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one (CAS 174573-91-2), with molecular formula C15H13N3OS and molecular weight 283.08 g/mol. IUPAC: 4-benzyl-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one
Property Insights of 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one
The XLogP value of 3.36159 indicates that 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.84 Ų, 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one 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 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one?
The CAS number of 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one is 174573-91-2.
What is the molecular formula of 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one?
The molecular formula of 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one is C15H13N3OS.
What is the molecular weight of 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one?
The molecular weight of 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one is 283.08 g/mol.
Where can I buy 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one?
You can request a quote for 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.