1X-0212
TL;DR: 1X-0212 (CAS 861206-85-1) is a chemical compound with molecular formula C17H15F3N2OS and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophen-2-yl-[7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl]methanone
Also Known As: 1X-0212, 2-thienyl[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone, 5-(thiophene-2-carbonyl)-7-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline, thiophen-2-yl-[7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl]methanone
| Molecular Formula | C17H15F3N2OS |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 4.3961 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.08572 |
| Heavy Atoms | 24 |
| Complexity | 772.638 |
Chemical Identifiers
| CAS Number | 861206-85-1 |
|---|---|
| SMILES | C1CC2CN(C3=C(N2C1)C=CC(=C3)C(F)(F)F)C(=O)C4=CC=CS4 |
Product Overview
1X-0212 (CAS 861206-85-1), with molecular formula C17H15F3N2OS and molecular weight 352.09 g/mol. IUPAC: thiophen-2-yl-[7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl]methanone.
Chemical Property Profile of 1X-0212
Property Insights of 1X-0212
The XLogP value of 4.3961 indicates that 1X-0212 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 1X-0212 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1X-0212 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1X-0212?
The CAS number of 1X-0212 is 861206-85-1.
What is the molecular formula of 1X-0212?
The molecular formula of 1X-0212 is C17H15F3N2OS.
What is the molecular weight of 1X-0212?
The molecular weight of 1X-0212 is 352.09 g/mol.
Where can I buy 1X-0212?
You can request a quote for 1X-0212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1X-0212?
Yes, KEHONG BIO provides custom synthesis services for 1X-0212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.