EINECS 258-852-6
TL;DR: EINECS 258-852-6 (CAS 53896-08-5) is a chemical compound with molecular formula C69H132O8 and molecular weight 1088.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-methylpentadecanoyloxy)-2,2-bis(2-methylpentadecanoyloxymethyl)propyl] 2-methylpentadecanoate
Also Known As: EINECS 258-852-6, 2,2-Bis(((2-methyl-1-oxopentadecyl)oxy)methyl)propane-1,3-diyl bis(2-methylpentadecanoate), 2,2-BIS[[(2-METHYL-1-OXOPENTADECYL)OXY]METHYL]PROPANE-1,3-DIYL BIS(2-METHYLPENTADECANOATE), [3-(2-methylpentadecanoyloxy)-2,2-bis(2-methylpentadecanoyloxymethyl)propyl] 2-methylpentadecanoate, 2,2-Bis{[(2-methylpentadecanoyl)oxy]methyl}propane-1,3-diyl bis(2-methylpentadecanoate)
| Molecular Formula | C69H132O8 |
|---|---|
| Molecular Weight | 1088.99 g/mol |
| LogP | 21.4944 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 60 |
| Exact Mass | 1088.9922 |
| Heavy Atoms | 77 |
| Complexity | 1118.0277 |
Chemical Identifiers
| CAS Number | 53896-08-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCC |
Product Overview
EINECS 258-852-6 (CAS 53896-08-5), with molecular formula C69H132O8 and molecular weight 1088.99 g/mol. IUPAC: [3-(2-methylpentadecanoyloxy)-2,2-bis(2-methylpentadecanoyloxymethyl)propyl] 2-methylpentadecanoate.
Chemical Property Profile of EINECS 258-852-6
Property Insights of EINECS 258-852-6
The XLogP value of 21.4944 indicates that EINECS 258-852-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 258-852-6. Following Lipinski's Rule of Five, EINECS 258-852-6 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 258-852-6?
The CAS number of EINECS 258-852-6 is 53896-08-5.
What is the molecular formula of EINECS 258-852-6?
The molecular formula of EINECS 258-852-6 is C69H132O8.
What is the molecular weight of EINECS 258-852-6?
The molecular weight of EINECS 258-852-6 is 1088.99 g/mol.
Where can I buy EINECS 258-852-6?
You can request a quote for EINECS 258-852-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 258-852-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 258-852-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.