12W-0282
TL;DR: 12W-0282 (CAS 860786-88-5) is a chemical compound with molecular formula C19H19F3N2O3S and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)sulfonyl-8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline
Also Known As: 12W-0282, methyl 4-{[8-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]sulfonyl}phenyl ether, 5-(4-methoxybenzenesulfonyl)-8-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline, 5-(4-methoxyphenyl)sulfonyl-8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline, 5-(4-methoxybenzenesulfonyl)-8-(trifluoromethyl)-1H,2H,3H,3aH,4H-pyrrolo[1,2-a]quinoxaline
| Molecular Formula | C19H19F3N2O3S |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 3.8917 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.10684 |
| Heavy Atoms | 28 |
| Complexity | 990.4737 |
Chemical Identifiers
| CAS Number | 860786-88-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2CC3CCCN3C4=C2C=CC(=C4)C(F)(F)F |
Product Overview
12W-0282 (CAS 860786-88-5), with molecular formula C19H19F3N2O3S and molecular weight 412.11 g/mol. IUPAC: 5-(4-methoxyphenyl)sulfonyl-8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline.
Chemical Property Profile of 12W-0282
Property Insights of 12W-0282
The XLogP value of 3.8917 indicates that 12W-0282 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, 12W-0282 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12W-0282 has 0 hydrogen bond donor(s) and 4 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 12W-0282?
The CAS number of 12W-0282 is 860786-88-5.
What is the molecular formula of 12W-0282?
The molecular formula of 12W-0282 is C19H19F3N2O3S.
What is the molecular weight of 12W-0282?
The molecular weight of 12W-0282 is 412.11 g/mol.
Where can I buy 12W-0282?
You can request a quote for 12W-0282 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12W-0282?
Yes, KEHONG BIO provides custom synthesis services for 12W-0282 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.