2L-012
TL;DR: 2L-012 (CAS 338775-13-6) is a chemical compound with molecular formula C23H13ClF3N5OS and molecular weight 499.05 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-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 2L-012, 2-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)sulfanyl)-7-(4-phenoxyphenyl)(1,2,4)triazolo[1,5-a]pyrimidine, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine, 3-chloro-2-{[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine, 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-7-(4-phenoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C23H13ClF3N5OS |
|---|---|
| Molecular Weight | 499.05 g/mol |
| LogP | 6.802 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.04816 |
| Heavy Atoms | 34 |
| Complexity | 1459.7473 |
Chemical Identifiers
| CAS Number | 338775-13-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC=NC4=NC(=NN34)SC5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
2L-012 (CAS 338775-13-6), with molecular formula C23H13ClF3N5OS and molecular weight 499.05 g/mol. IUPAC: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 2L-012
Property Insights of 2L-012
The XLogP value of 6.802 indicates that 2L-012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2L-012. Following Lipinski's Rule of Five, 2L-012 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 2L-012?
The CAS number of 2L-012 is 338775-13-6.
What is the molecular formula of 2L-012?
The molecular formula of 2L-012 is C23H13ClF3N5OS.
What is the molecular weight of 2L-012?
The molecular weight of 2L-012 is 499.05 g/mol.
Where can I buy 2L-012?
You can request a quote for 2L-012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2L-012?
Yes, KEHONG BIO provides custom synthesis services for 2L-012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.