pentaerythrityl adipate/caprate/caprylate/heptanoate
TL;DR: pentaerythrityl adipate/caprate/caprylate/heptanoate (CAS 68130-55-2) is a chemical compound with molecular formula C36H72O13 and molecular weight 712.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexanoic acid;octanoic acid
Also Known As: pentaerythrityl adipate/caprate/caprylate/heptanoate, Hexanedioic acid, mixed esters with decanoic acid, heptanoic acid, octanoic acid and pentaerythritol, decanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexanoic acid;octanoic acid, Pentaerythritol, adipic acid, heptanoic acid, caprylic acid, capricacid mixed esters, Hexanedioic acid mixed esters with decanoic acid heptanoic acid octanoic acid and pentaerythritol
| Molecular Formula | C36H72O13 |
|---|---|
| Molecular Weight | 712.50 g/mol |
| LogP | 7.3702 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 27 |
| Exact Mass | 712.4973 |
| Heavy Atoms | 49 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 68130-55-2 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCC(=O)O.CCC(CO)(CO)CO.C(CCC(=O)O)CC(=O)O |
| InChIKey | YCGWUEYSZNACHN-UHFFFAOYSA-N |
Product Overview
pentaerythrityl adipate/caprate/caprylate/heptanoate (CAS 68130-55-2), with molecular formula C36H72O13 and molecular weight 712.50 g/mol. IUPAC: decanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexanoic acid;octanoic acid.
Chemical Property Profile of pentaerythrityl adipate/caprate/caprylate/heptanoate
Property Insights of pentaerythrityl adipate/caprate/caprylate/heptanoate
The XLogP value of 7.3702 indicates that pentaerythrityl adipate/caprate/caprylate/heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 247.0 Ų indicates high polarity, suggesting pentaerythrityl adipate/caprate/caprylate/heptanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pentaerythrityl adipate/caprate/caprylate/heptanoate has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of pentaerythrityl adipate/caprate/caprylate/heptanoate?
The CAS number of pentaerythrityl adipate/caprate/caprylate/heptanoate is 68130-55-2.
What is the molecular formula of pentaerythrityl adipate/caprate/caprylate/heptanoate?
The molecular formula of pentaerythrityl adipate/caprate/caprylate/heptanoate is C36H72O13.
What is the molecular weight of pentaerythrityl adipate/caprate/caprylate/heptanoate?
The molecular weight of pentaerythrityl adipate/caprate/caprylate/heptanoate is 712.50 g/mol.
Where can I buy pentaerythrityl adipate/caprate/caprylate/heptanoate?
You can request a quote for pentaerythrityl adipate/caprate/caprylate/heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pentaerythrityl adipate/caprate/caprylate/heptanoate?
Yes, KEHONG BIO provides custom synthesis services for pentaerythrityl adipate/caprate/caprylate/heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.