EINECS 268-594-6
TL;DR: EINECS 268-594-6 (CAS 68130-51-8) is a chemical compound with molecular formula C37H68O8 and molecular weight 640.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(heptanoyloxymethyl)-2-(3-methylbutanoyloxymethyl)-3-octanoyloxypropyl] dodecanoate
Also Known As: EINECS 268-594-6, Pentaerythritol, isopentanoic acid, heptanoic acid, caprylic acid, capric acid mixed esters, Decanoic acid mixed esters with heptanoic acid isovaleric acid octanoic acid and pentaerythritol, Decanoic acid, mixed esters with heptanoic acid, isovaleric acid, octanoic acid and pentaerythritol, Decanoic acid, mixed esters with heptanoic acid, isovaleric acid, octanoic
| Molecular Formula | C37H68O8 |
|---|---|
| Molecular Weight | 640.49 g/mol |
| LogP | 9.4435 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 31 |
| Exact Mass | 640.4914 |
| Heavy Atoms | 45 |
| Complexity | 765.5209 |
Chemical Identifiers
| CAS Number | 68130-51-8 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCCC)COC(=O)CC(C)C |
Product Overview
EINECS 268-594-6 (CAS 68130-51-8), with molecular formula C37H68O8 and molecular weight 640.49 g/mol. IUPAC: [2-(heptanoyloxymethyl)-2-(3-methylbutanoyloxymethyl)-3-octanoyloxypropyl] dodecanoate.
Chemical Property Profile of EINECS 268-594-6
Property Insights of EINECS 268-594-6
The XLogP value of 9.4435 indicates that EINECS 268-594-6 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 268-594-6. Following Lipinski's Rule of Five, EINECS 268-594-6 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 268-594-6?
The CAS number of EINECS 268-594-6 is 68130-51-8.
What is the molecular formula of EINECS 268-594-6?
The molecular formula of EINECS 268-594-6 is C37H68O8.
What is the molecular weight of EINECS 268-594-6?
The molecular weight of EINECS 268-594-6 is 640.49 g/mol.
Where can I buy EINECS 268-594-6?
You can request a quote for EINECS 268-594-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 268-594-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 268-594-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.