5X-0246
TL;DR: 5X-0246 (CAS 1030857-28-3) is a chemical compound with molecular formula C21H18F6N2O and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one
Also Known As: 5X-0246, 3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzyl]-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one, 3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one, 3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one
| Molecular Formula | C21H18F6N2O |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 5.6299 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.13232 |
| Heavy Atoms | 30 |
| Complexity | 968.69946 |
Chemical Identifiers
| CAS Number | 1030857-28-3 |
|---|---|
| SMILES | C1CCN2C(C1)C(=O)N(C3=C2C=CC(=C3)C(F)(F)F)CC4=CC(=CC=C4)C(F)(F)F |
Product Overview
5X-0246 (CAS 1030857-28-3), with molecular formula C21H18F6N2O and molecular weight 428.13 g/mol. IUPAC: 3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one.
Chemical Property Profile of 5X-0246
Property Insights of 5X-0246
The XLogP value of 5.6299 indicates that 5X-0246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 5X-0246 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5X-0246 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5X-0246?
The CAS number of 5X-0246 is 1030857-28-3.
What is the molecular formula of 5X-0246?
The molecular formula of 5X-0246 is C21H18F6N2O.
What is the molecular weight of 5X-0246?
The molecular weight of 5X-0246 is 428.13 g/mol.
Where can I buy 5X-0246?
You can request a quote for 5X-0246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5X-0246?
Yes, KEHONG BIO provides custom synthesis services for 5X-0246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.