LY 245769
TL;DR: LY 245769 (CAS 127345-02-2) is a chemical compound with molecular formula C25H33F3N8OS and molecular weight 550.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3E,5Z)-15,15,15-trifluoro-2-[2-(2H-tetrazol-5-yl)ethylsulfanyl]-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-1-ol
Also Known As: 1-tert-butoxycarbonyl-3-benzyloxypyrrolidine, (1S,2R,3E,5Z)-15,15,15-trifluoro-2-[2-(2H-tetrazol-5-yl)ethylsulfanyl]-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-1-ol, 5-(3-(1-Hydroxy-15,15,15-trifluoro-2-(2-1H-tetrazol-5-ylethylthio)pentadeca-3,5-dienyl)phenyl)-1H-tetrazole, Benzenemethanol, 3-(1H-tetrazol-5-yl)-alpha-(14,14,14-trifluoro-1-((2-(1H-tetrazol-5-yl)ethyl)thio)-2,4-tetradecadienyl)-, (R-(R*,S*-(E,Z)))-, Benzenemethanol, 3-(1H-tetrazol-5-yl)-alpha-[(1R,2E,4Z)-14,14,14-trifluoro-1-[[2-(1H-tetrazol-5-yl)ethyl]thio]-2,4-tetradecadienyl]-, (alphaS)- (9CI)
| Molecular Formula | C25H33F3N8OS |
|---|---|
| Molecular Weight | 550.25 g/mol |
| LogP | 5.5532 |
| Topological Polar Surface Area | 129.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 550.245 |
| Heavy Atoms | 38 |
| Complexity | 1090.4857 |
Chemical Identifiers
| CAS Number | 127345-02-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[C@@H]([C@@H](/C=C/C=C\CCCCCCCCC(F)(F)F)SCCC2=NNN=N2)O)C3=NNN=N3 |
Product Overview
LY 245769 (CAS 127345-02-2), with molecular formula C25H33F3N8OS and molecular weight 550.25 g/mol. IUPAC: (1S,2R,3E,5Z)-15,15,15-trifluoro-2-[2-(2H-tetrazol-5-yl)ethylsulfanyl]-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-1-ol.
Chemical Property Profile of LY 245769
Property Insights of LY 245769
The XLogP value of 5.5532 indicates that LY 245769 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.15 Ų falls within the moderate polarity range, balancing permeability and solubility for LY 245769. Following Lipinski's Rule of Five, LY 245769 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LY 245769?
The CAS number of LY 245769 is 127345-02-2.
What is the molecular formula of LY 245769?
The molecular formula of LY 245769 is C25H33F3N8OS.
What is the molecular weight of LY 245769?
The molecular weight of LY 245769 is 550.25 g/mol.
Where can I buy LY 245769?
You can request a quote for LY 245769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY 245769?
Yes, KEHONG BIO provides custom synthesis services for LY 245769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.