2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione (CAS 115398-72-6) is a chemical compound with molecular formula C11H12N4O3S and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione
Also Known As: 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-, 4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione, 3H-1,2,4-Triazole-3-thione,4-amino-5-[1-(1,3-benzodioxol-5-yloxy)ethyl]-2,4-dihydro-, 4,4-Diethoxy-9-oxo-3,10-dioxa-8-aza-4-siladodecan-12-yl methacrylate
| Molecular Formula | C11H12N4O3S |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 1.52319 |
| Topological Polar Surface Area | 87.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.06302 |
| Heavy Atoms | 19 |
| Complexity | 666.2002 |
Chemical Identifiers
| CAS Number | 115398-72-6 |
|---|---|
| SMILES | CC(C1=NNC(=S)N1N)OC2=CC3=C(C=C2)OCO3 |
Product Overview
2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione (CAS 115398-72-6), with molecular formula C11H12N4O3S and molecular weight 280.06 g/mol. IUPAC: 4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione
The XLogP value of 1.52319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione. The TPSA of 87.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione has 2 hydrogen bond donor(s) and 6 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 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione is 115398-72-6.
What is the molecular formula of 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione is C11H12N4O3S.
What is the molecular weight of 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione is 280.06 g/mol.
Where can I buy 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)ethyl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.