3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-
TL;DR: 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti- (CAS 51153-58-3) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4R,7R)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
Also Known As: anti-Benzene dioxide, syn-Benzene dioxide, 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-, J2.899.927E, 3beta,4beta:5alpha,6alpha-Diepoxy-1-cyclohexene
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | 0.091 |
| Topological Polar Surface Area | 25.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 145.91147 |
Chemical Identifiers
| CAS Number | 51153-58-3 |
|---|---|
| SMILES | C1=C[C@@H]2[C@@H](O2)[C@H]3[C@@H]1O3 |
Product Overview
3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti- (CAS 51153-58-3), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: (1R,2R,4R,7R)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.
Chemical Property Profile of 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-
Property Insights of 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-
The XLogP value of 0.091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-. With a topological polar surface area (TPSA) of 25.06 Ų, 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti- has 0 hydrogen bond donor(s) and 2 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 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-?
The CAS number of 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti- is 51153-58-3.
What is the molecular formula of 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-?
The molecular formula of 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti- is C6H6O2.
What is the molecular weight of 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-?
The molecular weight of 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti- is 110.04 g/mol.
Where can I buy 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-?
You can request a quote for 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.