EINECS 258-851-0
TL;DR: EINECS 258-851-0 (CAS 53896-07-4) is a chemical compound with molecular formula C54H104O6 and molecular weight 848.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(2-methylpentadecanoyloxymethyl)butyl 2-methylpentadecanoate
Also Known As: 2-ethyl-2-[[oxy]methyl]propane-1,3-diylbis, 2-ethyl-2-[[ oxy]methyl]propane-1,3-diylbis, 2,2-bis{[(2-methylpentadecanoyl)oxy]methyl}butyl 2-methylpentadecanoate, 2,2-bis(2-methylpentadecanoyloxymethyl)butyl 2-methylpentadecanoate, 2-Ethyl-2-(((2-methyl-1-oxopentadecyl)oxy)methyl)propane-1,3-diyl bis(2-methylpentadecanoate)
| Molecular Formula | C54H104O6 |
|---|---|
| Molecular Weight | 848.78 g/mol |
| LogP | 23.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 49 |
| Exact Mass | 848.78326 |
| Heavy Atoms | 60 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 53896-07-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(C)C(=O)OCC(CC)(COC(=O)C(C)CCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCC |
| InChIKey | HGLWYROWDXYWKC-UHFFFAOYSA-N |
Product Overview
EINECS 258-851-0 (CAS 53896-07-4), with molecular formula C54H104O6 and molecular weight 848.78 g/mol. IUPAC: 2,2-bis(2-methylpentadecanoyloxymethyl)butyl 2-methylpentadecanoate.
Chemical Property Profile of EINECS 258-851-0
Property Insights of EINECS 258-851-0
The XLogP value of 23.0 indicates that EINECS 258-851-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 258-851-0. Following Lipinski's Rule of Five, EINECS 258-851-0 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 258-851-0?
The CAS number of EINECS 258-851-0 is 53896-07-4.
What is the molecular formula of EINECS 258-851-0?
The molecular formula of EINECS 258-851-0 is C54H104O6.
What is the molecular weight of EINECS 258-851-0?
The molecular weight of EINECS 258-851-0 is 848.78 g/mol.
Where can I buy EINECS 258-851-0?
You can request a quote for EINECS 258-851-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 258-851-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 258-851-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.