3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione (CAS 328012-87-9) is a chemical compound with molecular formula C13H23N3O2S and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00333914, 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 4-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-butoxy-2-butanol, AE-848/36065011, A0916/0042867
| Molecular Formula | C13H23N3O2S |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | 2.23689 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 285.1511 |
| Heavy Atoms | 19 |
| Complexity | 427.76797 |
Chemical Identifiers
| CAS Number | 328012-87-9 |
|---|---|
| SMILES | CCCCOCC(CCC1=NNC(=S)N1CC=C)O |
Product Overview
3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione (CAS 328012-87-9), with molecular formula C13H23N3O2S and molecular weight 285.15 g/mol. IUPAC: 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
The XLogP value of 2.23689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione has 2 hydrogen bond donor(s) and 4 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-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione is 328012-87-9.
What is the molecular formula of 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione is C13H23N3O2S.
What is the molecular weight of 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione is 285.15 g/mol.
Where can I buy 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-butoxy-3-hydroxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.