![4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/7214/721415-39-0.webp)
4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 721415-39-0) is a chemical compound with molecular formula C20H20N4O5S2 and molecular weight 460.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione, 4-[(1,3-dioxaindan-5-yl)methyl]-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol, 4-Benzo[1,3]dioxol-5-ylmethyl-5-[3-(morpholine-4-sulfonyl)-phenyl]-4H-[1,2,4]triazole-3-thiol, 4-(1,3-dioxaindan-5-yl)methyl-5-3-(morpholine-4-sulfonyl)phenyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C20H20N4O5S2 |
|---|---|
| Molecular Weight | 460.09 g/mol |
| LogP | 2.40559 |
| Topological Polar Surface Area | 98.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.08752 |
| Heavy Atoms | 31 |
| Complexity | 1278.7175 |
Chemical Identifiers
| CAS Number | 721415-39-0 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NNC(=S)N3CC4=CC5=C(C=C4)OCO5 |
Product Overview
4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 721415-39-0), with molecular formula C20H20N4O5S2 and molecular weight 460.09 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.40559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol. The TPSA of 98.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 7 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-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol is 721415-39-0.
What is the molecular formula of 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol is C20H20N4O5S2.
What is the molecular weight of 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol is 460.09 g/mol.
Where can I buy 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-[3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.