Pentatroxane
TL;DR: Pentatroxane (CAS 124378-33-2) is a chemical compound with molecular formula C22H22O3 and molecular weight 334.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,7aS)-6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,1'-cyclopentane]
Also Known As: Pentatroxane, (4aS,7aS)-6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,1'-cyclopentane], Spiro(cyclopentane-1,3'-(7H)cyclopenta(1,2,4)trioxin), 4'a,7'a-dihydro-6',7'a-diphenyl-, (4'aS-cis)-, (5S)-6,8-Diphenyl-5beta,6beta-propenospiro[1,2,4-trioxane-3,1 -cyclopentane], 2,3aalpha-Diphenyl-3a,7aalpha-dihydro-3H-4,5,7-trioxaspiro[6H-indene-6,1 -cyclopentane]
| Molecular Formula | C22H22O3 |
|---|---|
| Molecular Weight | 334.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.1569 |
| Heavy Atoms | 25 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 124378-33-2 |
|---|---|
| SMILES | C1CCC2(C1)O[C@H]3C=C(C[C@]3(OO2)C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | IIBNWGMRDCFPEU-UNMCSNQZSA-N |
Product Overview
Pentatroxane (CAS 124378-33-2), with molecular formula C22H22O3 and molecular weight 334.16 g/mol. IUPAC: (4aS,7aS)-6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,1'-cyclopentane].
Chemical Property Profile of Pentatroxane
Property Insights of Pentatroxane
The XLogP value of 4.2 indicates that Pentatroxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Pentatroxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentatroxane 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 Pentatroxane?
The CAS number of Pentatroxane is 124378-33-2.
What is the molecular formula of Pentatroxane?
The molecular formula of Pentatroxane is C22H22O3.
What is the molecular weight of Pentatroxane?
The molecular weight of Pentatroxane is 334.16 g/mol.
Where can I buy Pentatroxane?
You can request a quote for Pentatroxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentatroxane?
Yes, KEHONG BIO provides custom synthesis services for Pentatroxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.