Allylbenzene ozonide
TL;DR: Allylbenzene ozonide (CAS 121809-52-7) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1,2,4-trioxolane
Also Known As: Allylbenzene ozonide, 3-benzyl-1,2,4-trioxolane, 1,2,4-Trioxolane, 3-(phenylmethyl)-, RefChem:110902
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 121809-52-7 |
|---|---|
| SMILES | C1OC(OO1)CC2=CC=CC=C2 |
| InChIKey | DVNPKYOZAQMNJW-UHFFFAOYSA-N |
Product Overview
Allylbenzene ozonide (CAS 121809-52-7), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 3-benzyl-1,2,4-trioxolane.
Chemical Property Profile of Allylbenzene ozonide
Property Insights of Allylbenzene ozonide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allylbenzene ozonide. With a topological polar surface area (TPSA) of 27.7 Ų, Allylbenzene ozonide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allylbenzene ozonide 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 Allylbenzene ozonide?
The CAS number of Allylbenzene ozonide is 121809-52-7.
What is the molecular formula of Allylbenzene ozonide?
The molecular formula of Allylbenzene ozonide is C9H10O3.
What is the molecular weight of Allylbenzene ozonide?
The molecular weight of Allylbenzene ozonide is 166.06 g/mol.
Where can I buy Allylbenzene ozonide?
You can request a quote for Allylbenzene ozonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allylbenzene ozonide?
Yes, KEHONG BIO provides custom synthesis services for Allylbenzene ozonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.