12W-0236
TL;DR: 12W-0236 (CAS 860785-70-2) is a chemical compound with molecular formula C20H16F6N2O and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
Also Known As: 12W-0236, [7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl][3-(trifluoromethyl)phenyl]methanone, [7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl]-[3-(trifluoromethyl)phenyl]methanone, 7-(trifluoromethyl)-5-[3-(trifluoromethyl)benzoyl]-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline
| Molecular Formula | C20H16F6N2O |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 5.3534 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 414.11667 |
| Heavy Atoms | 29 |
| Complexity | 952.7181 |
Chemical Identifiers
| CAS Number | 860785-70-2 |
|---|---|
| SMILES | C1CC2CN(C3=C(N2C1)C=CC(=C3)C(F)(F)F)C(=O)C4=CC(=CC=C4)C(F)(F)F |
Product Overview
12W-0236 (CAS 860785-70-2), with molecular formula C20H16F6N2O and molecular weight 414.12 g/mol. IUPAC: [7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
Chemical Property Profile of 12W-0236
Property Insights of 12W-0236
The XLogP value of 5.3534 indicates that 12W-0236 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 12W-0236 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12W-0236 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 12W-0236?
The CAS number of 12W-0236 is 860785-70-2.
What is the molecular formula of 12W-0236?
The molecular formula of 12W-0236 is C20H16F6N2O.
What is the molecular weight of 12W-0236?
The molecular weight of 12W-0236 is 414.12 g/mol.
Where can I buy 12W-0236?
You can request a quote for 12W-0236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12W-0236?
Yes, KEHONG BIO provides custom synthesis services for 12W-0236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.