anti-Benzene trioxide
TL;DR: anti-Benzene trioxide (CAS 39078-13-2) is a chemical compound with molecular formula C6H6O3 and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,9-trioxatetracyclo[6.1.0.02,4.05,7]nonane
Also Known As: anti-Benzene trioxide, benzene trioxide, cis-Benzene trioxide, syn-Benzene trioxide, C12OC2C3OC3C4C1O4
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 37.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 39078-13-2 |
|---|---|
| SMILES | C12C(O1)C3C(O3)C4C2O4 |
| InChIKey | UDUYERSGOVZJPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
anti-Benzene trioxide (CAS 39078-13-2), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: 3,6,9-trioxatetracyclo[6.1.0.02,4.05,7]nonane.
Chemical Property Profile of anti-Benzene trioxide
Property Insights of anti-Benzene trioxide
The XLogP value of -0.7 indicates that anti-Benzene trioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.6 Ų, anti-Benzene trioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, anti-Benzene trioxide 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 anti-Benzene trioxide?
The CAS number of anti-Benzene trioxide is 39078-13-2.
What is the molecular formula of anti-Benzene trioxide?
The molecular formula of anti-Benzene trioxide is C6H6O3.
What is the molecular weight of anti-Benzene trioxide?
The molecular weight of anti-Benzene trioxide is 126.03 g/mol.
Where can I buy anti-Benzene trioxide?
You can request a quote for anti-Benzene trioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for anti-Benzene trioxide?
Yes, KEHONG BIO provides custom synthesis services for anti-Benzene trioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.