2L-009
TL;DR: 2L-009 (CAS 338775-10-3) is a chemical compound with molecular formula C17H8ClF3N6O2S and molecular weight 452.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 2L-009, 2-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)sulfanyl)-7-(4-nitrophenyl)(1,2,4)triazolo[1,5-a]pyrimidine, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine, 3-chloro-2-{[7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine, 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-7-(4-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C17H8ClF3N6O2S |
|---|---|
| Molecular Weight | 452.01 g/mol |
| LogP | 4.9179 |
| Topological Polar Surface Area | 99.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.00702 |
| Heavy Atoms | 30 |
| Complexity | 1262.8212 |
Chemical Identifiers
| CAS Number | 338775-10-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=NC3=NC(=NN23)SC4=C(C=C(C=N4)C(F)(F)F)Cl)[N+](=O)[O-] |
Product Overview
2L-009 (CAS 338775-10-3), with molecular formula C17H8ClF3N6O2S and molecular weight 452.01 g/mol. IUPAC: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 2L-009
Property Insights of 2L-009
The XLogP value of 4.9179 indicates that 2L-009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2L-009. Following Lipinski's Rule of Five, 2L-009 has 0 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 2L-009?
The CAS number of 2L-009 is 338775-10-3.
What is the molecular formula of 2L-009?
The molecular formula of 2L-009 is C17H8ClF3N6O2S.
What is the molecular weight of 2L-009?
The molecular weight of 2L-009 is 452.01 g/mol.
Where can I buy 2L-009?
You can request a quote for 2L-009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2L-009?
Yes, KEHONG BIO provides custom synthesis services for 2L-009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.