![2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole structure](/static/products/876/876548-35-5.png)
2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
TL;DR: 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CAS 876548-35-5) is a chemical compound with molecular formula C15H17N5O4S and molecular weight 363.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Also Known As: 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole, 1,2,3-trimethoxy-5-{5-[(4-methyl(1,2,4-triazol-3-ylthio))methyl](1,3,4-oxadiaz ol-2-yl)}benzene, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
| Molecular Formula | C15H17N5O4S |
|---|---|
| Molecular Weight | 363.10 g/mol |
| LogP | 2.1832 |
| Topological Polar Surface Area | 97.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.10013 |
| Heavy Atoms | 25 |
| Complexity | 838.2313 |
Chemical Identifiers
| CAS Number | 876548-35-5 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CAS 876548-35-5), with molecular formula C15H17N5O4S and molecular weight 363.10 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Property Insights of 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
The XLogP value of 2.1832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole. The TPSA of 97.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole has 0 hydrogen bond donor(s) and 9 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-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The CAS number of 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is 876548-35-5.
What is the molecular formula of 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The molecular formula of 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is C15H17N5O4S.
What is the molecular weight of 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The molecular weight of 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is 363.10 g/mol.
Where can I buy 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
You can request a quote for 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.