Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate
TL;DR: Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate (CAS 53445-36-6) is a chemical compound with molecular formula C15H24O6 and molecular weight 300.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(oxiran-2-ylmethyl) 2,2,4-trimethylhexanedioate
Also Known As: Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate, bis(oxiran-2-ylmethyl) 2,2,4-trimethylhexanedioate, Bis[(oxiran-2-yl)methyl] 2,2,4-trimethylhexanedioate, EINECS 258-555-1
| Molecular Formula | C15H24O6 |
|---|---|
| Molecular Weight | 300.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 300.1573 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 53445-36-6 |
|---|---|
| SMILES | CC(CC(=O)OCC1CO1)CC(C)(C)C(=O)OCC2CO2 |
| InChIKey | UWDFQCNMKSEPIS-UHFFFAOYSA-N |
Product Overview
Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate (CAS 53445-36-6), with molecular formula C15H24O6 and molecular weight 300.16 g/mol. IUPAC: bis(oxiran-2-ylmethyl) 2,2,4-trimethylhexanedioate.
Chemical Property Profile of Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate
Property Insights of Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate. Following Lipinski's Rule of Five, Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate 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 Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate?
The CAS number of Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate is 53445-36-6.
What is the molecular formula of Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate?
The molecular formula of Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate is C15H24O6.
What is the molecular weight of Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate?
The molecular weight of Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate is 300.16 g/mol.
Where can I buy Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate?
You can request a quote for Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate?
Yes, KEHONG BIO provides custom synthesis services for Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.