![3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e structure](/static/products/841/841207-20-3.png)
3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e
TL;DR: 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e (CAS 841207-20-3) is a chemical compound with molecular formula C15H12N4S2 and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e, 3-(3-methylphenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(3-methylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(thiophen-2-ylmethyl)-3-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C15H12N4S2 |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 3.81352 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.05035 |
| Heavy Atoms | 21 |
| Complexity | 889.5898 |
Chemical Identifiers
| CAS Number | 841207-20-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C3N2N=C(S3)CC4=CC=CS4 |
Product Overview
3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e (CAS 841207-20-3), with molecular formula C15H12N4S2 and molecular weight 312.05 g/mol. IUPAC: 3-(3-methylphenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e
Property Insights of 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e
The XLogP value of 3.81352 indicates that 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e has 0 hydrogen bond donor(s) and 5 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-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e?
The CAS number of 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e is 841207-20-3.
What is the molecular formula of 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e?
The molecular formula of 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e is C15H12N4S2.
What is the molecular weight of 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e?
The molecular weight of 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e is 312.05 g/mol.
Where can I buy 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e?
You can request a quote for 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methylphenyl)-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin e and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.