12W-0245
TL;DR: 12W-0245 (CAS 860785-75-7) is a chemical compound with molecular formula C20H21F3N2O and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline
Also Known As: 12W-0245, 5-(3-methoxybenzyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline, 5-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline, 5-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline, 5-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)-1H,2H,3H,3aH,4H-pyrrolo[1,2-a]quinoxaline
| Molecular Formula | C20H21F3N2O |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 4.703 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.16058 |
| Heavy Atoms | 26 |
| Complexity | 805.88354 |
Chemical Identifiers
| CAS Number | 860785-75-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CN2CC3CCCN3C4=C2C=C(C=C4)C(F)(F)F |
Product Overview
12W-0245 (CAS 860785-75-7), with molecular formula C20H21F3N2O and molecular weight 362.16 g/mol. IUPAC: 5-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline.
Chemical Property Profile of 12W-0245
Property Insights of 12W-0245
The XLogP value of 4.703 indicates that 12W-0245 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.71 Ų, 12W-0245 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12W-0245 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 12W-0245?
The CAS number of 12W-0245 is 860785-75-7.
What is the molecular formula of 12W-0245?
The molecular formula of 12W-0245 is C20H21F3N2O.
What is the molecular weight of 12W-0245?
The molecular weight of 12W-0245 is 362.16 g/mol.
Where can I buy 12W-0245?
You can request a quote for 12W-0245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12W-0245?
Yes, KEHONG BIO provides custom synthesis services for 12W-0245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.