![5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/893/893779-24-3.png)
5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 893779-24-3) is a chemical compound with molecular formula C17H23N5O4S2 and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-(4-morpholin-4-yl-3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol, AO-080/43405010, A4145/0176604, 3-methyl-4-(4-morpholin-4-yl-3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione, 5-methyl-4-[4-(morpholin-4-yl)-3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C17H23N5O4S2 |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 1.09581 |
| Topological Polar Surface Area | 92.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.11914 |
| Heavy Atoms | 28 |
| Complexity | 1004.79535 |
Chemical Identifiers
| CAS Number | 893779-24-3 |
|---|---|
| SMILES | CC1=NNC(=S)N1C2=CC(=C(C=C2)N3CCOCC3)S(=O)(=O)N4CCOCC4 |
Product Overview
5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 893779-24-3), with molecular formula C17H23N5O4S2 and molecular weight 425.12 g/mol. IUPAC: 3-methyl-4-(4-morpholin-4-yl-3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.09581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol. The TPSA of 92.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)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 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol is 893779-24-3.
What is the molecular formula of 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol is C17H23N5O4S2.
What is the molecular weight of 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol is 425.12 g/mol.
Where can I buy 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)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 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-[4-morpholin-4-yl-3-(morpholin-4-ylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.