trans-1,2,3,4-Diepoxycyclohexane
TL;DR: trans-1,2,3,4-Diepoxycyclohexane (CAS 36736-23-9) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 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]octane
Also Known As: 1,3-Cyclohexadiene trans-diepoxide, trans-1,2,3,4-Diepoxycyclohexane, 1,2:3,4-Diepoxycyclohexane, NIOSH/JH5029900, TRANS-1,3-CYCLOHEXADIENE DIOXIDE
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 25.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 36736-23-9 |
|---|---|
| SMILES | C1C[C@@H]2[C@@H](O2)[C@H]3[C@@H]1O3 |
| InChIKey | APXNRLPBXNJAGG-KVTDHHQDSA-N |
Product Overview
trans-1,2,3,4-Diepoxycyclohexane (CAS 36736-23-9), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: (1R,2R,4R,7R)-3,8-dioxatricyclo[5.1.0.02,4]octane.
Chemical Property Profile of trans-1,2,3,4-Diepoxycyclohexane
Property Insights of trans-1,2,3,4-Diepoxycyclohexane
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1,2,3,4-Diepoxycyclohexane. With a topological polar surface area (TPSA) of 25.1 Ų, trans-1,2,3,4-Diepoxycyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1,2,3,4-Diepoxycyclohexane 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 trans-1,2,3,4-Diepoxycyclohexane?
The CAS number of trans-1,2,3,4-Diepoxycyclohexane is 36736-23-9.
What is the molecular formula of trans-1,2,3,4-Diepoxycyclohexane?
The molecular formula of trans-1,2,3,4-Diepoxycyclohexane is C6H8O2.
What is the molecular weight of trans-1,2,3,4-Diepoxycyclohexane?
The molecular weight of trans-1,2,3,4-Diepoxycyclohexane is 112.05 g/mol.
Where can I buy trans-1,2,3,4-Diepoxycyclohexane?
You can request a quote for trans-1,2,3,4-Diepoxycyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1,2,3,4-Diepoxycyclohexane?
Yes, KEHONG BIO provides custom synthesis services for trans-1,2,3,4-Diepoxycyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.