2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne
TL;DR: 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne (CAS 42149-31-5) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-[2-(2-methyloxiran-2-yl)ethynyl]oxirane
Also Known As: 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne, 1,2-bis(2-methyloxiran-2-yl)ethyne, 2-methyl-2-[2-(2-methyloxiran-2-yl)ethynyl]oxirane, 1,2:5,6-Diepoxy-2,5-dimethyl-3-hexyne, 3-HEXYNE, 1,2:5,6-DIEPOXY-2,5-DIMETHYL-
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 25.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 42149-31-5 |
|---|---|
| SMILES | CC1(CO1)C#CC2(CO2)C |
| InChIKey | DECROJFJFVMMIP-UHFFFAOYSA-N |
Product Overview
2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne (CAS 42149-31-5), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 2-methyl-2-[2-(2-methyloxiran-2-yl)ethynyl]oxirane.
Chemical Property Profile of 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne
Property Insights of 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne. With a topological polar surface area (TPSA) of 25.1 Ų, 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne 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 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne?
The CAS number of 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne is 42149-31-5.
What is the molecular formula of 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne?
The molecular formula of 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne is C8H10O2.
What is the molecular weight of 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne?
The molecular weight of 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne is 138.07 g/mol.
Where can I buy 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne?
You can request a quote for 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.