3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol
TL;DR: 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol (CAS 29213-07-8) 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.
3-(3-hydroxynaphthalen-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol, 3-(4-allyl-5-mercapto-4h-1,2,4-triazol-3-yl)naphthalen-2-ol, 3-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]naphthalen-2-ol, 3-(3-hydroxynaphthalen-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 3-(4-prop-2-enyl-5-sulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol
| Molecular Formula | C15H13N3OS |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.07794 |
| Heavy Atoms | 20 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 29213-07-8 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2O |
| InChIKey | HIPWOSXSDRYMFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol (CAS 29213-07-8), with molecular formula C15H13N3OS and molecular weight 283.08 g/mol. IUPAC: 3-(3-hydroxynaphthalen-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol
Property Insights of 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol
The XLogP value of 3.2 indicates that 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol. Following Lipinski's Rule of Five, 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol 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-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol?
The CAS number of 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol is 29213-07-8.
What is the molecular formula of 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol?
The molecular formula of 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol is C15H13N3OS.
What is the molecular weight of 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol?
The molecular weight of 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol is 283.08 g/mol.
Where can I buy 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol?
You can request a quote for 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-2-naphthol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.