2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane
TL;DR: 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane (CAS 87676-93-5) is a chemical compound with molecular formula C22H22O6 and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-[3-(4-acetyloxyphenyl)-3-methyloxiran-2-yl]-2-methyloxiran-2-yl]phenyl] acetate
Also Known As: 2,3,4,5-Bebah, KST-1A8678, 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane, [4-[3-[3-(4-acetyloxyphenyl)-3-methyloxiran-2-yl]-2-methyloxiran-2-yl]phenyl] acetate, (3,3'-dimethyl-2,2'-bioxirane-3,3'-diyl)dibenzene-4,1-diyl diacetate(non-preferred name)
| Molecular Formula | C22H22O6 |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.14163 |
| Heavy Atoms | 28 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 87676-93-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2(C(O2)C3C(O3)(C)C4=CC=C(C=C4)OC(=O)C)C |
| InChIKey | HXSQEOUGTWYIRU-UHFFFAOYSA-N |
Product Overview
2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane (CAS 87676-93-5), with molecular formula C22H22O6 and molecular weight 382.14 g/mol. IUPAC: [4-[3-[3-(4-acetyloxyphenyl)-3-methyloxiran-2-yl]-2-methyloxiran-2-yl]phenyl] acetate.
Chemical Property Profile of 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane
Property Insights of 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane. Following Lipinski's Rule of Five, 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane has 0 hydrogen bond donor(s) and 6 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 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane?
The CAS number of 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane is 87676-93-5.
What is the molecular formula of 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane?
The molecular formula of 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane is C22H22O6.
What is the molecular weight of 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane?
The molecular weight of 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane is 382.14 g/mol.
Where can I buy 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane?
You can request a quote for 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.