1X-0303
TL;DR: 1X-0303 (CAS 861207-31-0) is a chemical compound with molecular formula C23H27F3N2O2S and molecular weight 452.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline
Also Known As: 1X-0303, 5-{[4-(tert-pentyl)phenyl]sulfonyl}-8-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline, 5-[4-(2-methylbutan-2-yl)benzenesulfonyl]-8-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline, 5-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline, 5-[4-(2-methylbutan-2-yl)benzenesulfonyl]-8-(trifluoromethyl)-1H,2H,3H,3aH,4H-pyrrolo[1,2-a]quinoxaline
| Molecular Formula | C23H27F3N2O2S |
|---|---|
| Molecular Weight | 452.17 g/mol |
| LogP | 5.5707 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.17453 |
| Heavy Atoms | 31 |
| Complexity | 1078.9907 |
Chemical Identifiers
| CAS Number | 861207-31-0 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC3CCCN3C4=C2C=CC(=C4)C(F)(F)F |
Product Overview
1X-0303 (CAS 861207-31-0), with molecular formula C23H27F3N2O2S and molecular weight 452.17 g/mol. IUPAC: 5-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline.
Chemical Property Profile of 1X-0303
Property Insights of 1X-0303
The XLogP value of 5.5707 indicates that 1X-0303 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 1X-0303 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1X-0303 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1X-0303?
The CAS number of 1X-0303 is 861207-31-0.
What is the molecular formula of 1X-0303?
The molecular formula of 1X-0303 is C23H27F3N2O2S.
What is the molecular weight of 1X-0303?
The molecular weight of 1X-0303 is 452.17 g/mol.
Where can I buy 1X-0303?
You can request a quote for 1X-0303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1X-0303?
Yes, KEHONG BIO provides custom synthesis services for 1X-0303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.