1,2,6,7-Diepoxyheptane
TL;DR: 1,2,6,7-Diepoxyheptane (CAS 4247-19-2) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(oxiran-2-yl)propyl]oxirane
Also Known As: 1,2,6,7-DIEPOXYHEPTANE, 1,2:6,7-Diepoxyheptane, 2-[3-(oxiran-2-yl)propyl]oxirane, 1,3-bis(oxiranyl)propane, 1,3-DI(OXIRAN-2-YL)PROPANE
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 25.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 4247-19-2 |
|---|---|
| SMILES | C1C(O1)CCCC2CO2 |
| InChIKey | QWWBCQNZFMNNKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,6,7-Diepoxyheptane (CAS 4247-19-2), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 2-[3-(oxiran-2-yl)propyl]oxirane.
Chemical Property Profile of 1,2,6,7-Diepoxyheptane
Property Insights of 1,2,6,7-Diepoxyheptane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,6,7-Diepoxyheptane. With a topological polar surface area (TPSA) of 25.1 Ų, 1,2,6,7-Diepoxyheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,6,7-Diepoxyheptane 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 1,2,6,7-Diepoxyheptane?
The CAS number of 1,2,6,7-Diepoxyheptane is 4247-19-2.
What is the molecular formula of 1,2,6,7-Diepoxyheptane?
The molecular formula of 1,2,6,7-Diepoxyheptane is C7H12O2.
What is the molecular weight of 1,2,6,7-Diepoxyheptane?
The molecular weight of 1,2,6,7-Diepoxyheptane is 128.08 g/mol.
Where can I buy 1,2,6,7-Diepoxyheptane?
You can request a quote for 1,2,6,7-Diepoxyheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,6,7-Diepoxyheptane?
Yes, KEHONG BIO provides custom synthesis services for 1,2,6,7-Diepoxyheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.