11J-015
TL;DR: 11J-015 (CAS 477854-07-2) is a chemical compound with molecular formula C16H11F3N4S3 and molecular weight 412.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine
Also Known As: 11J-015, 2-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-3-(2-thienyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine, 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine, 4-methyl-3-(methylsulfanyl)-5-[3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4H-1,2,4-triazole
| Molecular Formula | C16H11F3N4S3 |
|---|---|
| Molecular Weight | 412.01 g/mol |
| LogP | 5.561 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.0098 |
| Heavy Atoms | 26 |
| Complexity | 1080.4928 |
Chemical Identifiers
| CAS Number | 477854-07-2 |
|---|---|
| SMILES | CN1C(=NN=C1SC)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CC=CS4 |
Product Overview
11J-015 (CAS 477854-07-2), with molecular formula C16H11F3N4S3 and molecular weight 412.01 g/mol. IUPAC: 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine.
Chemical Property Profile of 11J-015
Property Insights of 11J-015
The XLogP value of 5.561 indicates that 11J-015 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 11J-015 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11J-015 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11J-015?
The CAS number of 11J-015 is 477854-07-2.
What is the molecular formula of 11J-015?
The molecular formula of 11J-015 is C16H11F3N4S3.
What is the molecular weight of 11J-015?
The molecular weight of 11J-015 is 412.01 g/mol.
Where can I buy 11J-015?
You can request a quote for 11J-015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11J-015?
Yes, KEHONG BIO provides custom synthesis services for 11J-015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.