Syn 2836
TL;DR: Syn 2836 (CAS 210562-94-0) is a chemical compound with molecular formula C32H31F5N8O2 and molecular weight 654.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]piperazin-1-yl]phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one
Also Known As: 4-[4-[4-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]piperazin-1-yl]phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one, 3H-1,2,4-Triazol-3-one, 4-(4-(4-((1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-1-piperazinyl)phenyl)-2,4-dihydro-2-((4-(trifluoromethyl)phenyl)methyl)-, 4-(4-{4-[(2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]piperazin-1-yl}phenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, RefChem:186977
| Molecular Formula | C32H31F5N8O2 |
|---|---|
| Molecular Weight | 654.25 g/mol |
| LogP | 4.0693 |
| Topological Polar Surface Area | 97.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 654.249 |
| Heavy Atoms | 47 |
| Complexity | 1865.4443 |
Chemical Identifiers
| CAS Number | 210562-94-0 |
|---|---|
| SMILES | C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCN(CC3)C4=CC=C(C=C4)N5C=NN(C5=O)CC6=CC=C(C=C6)C(F)(F)F |
Product Overview
Syn 2836 (CAS 210562-94-0), with molecular formula C32H31F5N8O2 and molecular weight 654.25 g/mol. IUPAC: 4-[4-[4-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]piperazin-1-yl]phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one.
Chemical Property Profile of Syn 2836
Property Insights of Syn 2836
The XLogP value of 4.0693 indicates that Syn 2836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Syn 2836. Following Lipinski's Rule of Five, Syn 2836 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Syn 2836?
The CAS number of Syn 2836 is 210562-94-0.
What is the molecular formula of Syn 2836?
The molecular formula of Syn 2836 is C32H31F5N8O2.
What is the molecular weight of Syn 2836?
The molecular weight of Syn 2836 is 654.25 g/mol.
Where can I buy Syn 2836?
You can request a quote for Syn 2836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Syn 2836?
Yes, KEHONG BIO provides custom synthesis services for Syn 2836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.