Hexatroxanone
TL;DR: Hexatroxanone (CAS 124378-34-3) is a chemical compound with molecular formula C23H22O4 and molecular weight 362.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7a-diphenylspiro[4aH-cyclopenta[e][1,2,4]trioxine-3,1'-cyclohexane]-5-one
Also Known As: Hexatroxanone, 6,7a-diphenylspiro[4aH-cyclopenta[e][1,2,4]trioxine-3,1'-cyclohexane]-5-one, Spiro(cyclohexane-1,3'-(5H)cyclopenta(1,2,4)trioxin)-5'-one, 4'a,7'a-dihydro-6',7'a-diphenyl-, (4'aR-cis)-, 6',7'a-Diphenyl-4'a,7'a-dihydro-5'H-spiro[cyclohexane-1,3'-cyclopenta[e][1,2,4]trioxin]-5'-one, 6,7a-Diphenylspiro[4a,7a-dihydro-4aH-cyclopenta[2,1-e]1,2,4-trioxane-3,1'-cyclohexane]-5-one
| Molecular Formula | C23H22O4 |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.1518 |
| Heavy Atoms | 27 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 124378-34-3 |
|---|---|
| SMILES | C1CCC2(CC1)OC3C(=O)C(=CC3(OO2)C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | VWFPUOYWYFLBNX-UHFFFAOYSA-N |
Product Overview
Hexatroxanone (CAS 124378-34-3), with molecular formula C23H22O4 and molecular weight 362.15 g/mol. IUPAC: 6,7a-diphenylspiro[4aH-cyclopenta[e][1,2,4]trioxine-3,1'-cyclohexane]-5-one.
Chemical Property Profile of Hexatroxanone
Property Insights of Hexatroxanone
The XLogP value of 4.6 indicates that Hexatroxanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Hexatroxanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexatroxanone 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 Hexatroxanone?
The CAS number of Hexatroxanone is 124378-34-3.
What is the molecular formula of Hexatroxanone?
The molecular formula of Hexatroxanone is C23H22O4.
What is the molecular weight of Hexatroxanone?
The molecular weight of Hexatroxanone is 362.15 g/mol.
Where can I buy Hexatroxanone?
You can request a quote for Hexatroxanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexatroxanone?
Yes, KEHONG BIO provides custom synthesis services for Hexatroxanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.