异棕榈酸
TL;DR: 异棕榈酸 (CAS 68957-81-3) 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.
异棕榈酸
[3-(14-methylpentadecanoyloxy)-2,2-bis(14-methylpentadecanoyloxymethyl)propyl] 14-methylpentadecanoate
Also Known As: ISOPALMITIC ACID, Pentaerythritol tetraisopalmitate, Isopalmitic acid, pentaerythritol tetraester, 2,2-Bis(((1-oxoisohexadecyl)oxy)methyl)-1,3-propanediyl diisohexadecanoate, 2,2-bis[[(1-oxoisohexadecyl)oxy]methyl]-1,3-propanediyl diisohexadecanoate
| Molecular Formula | C69H132O8 |
|---|---|
| Molecular Weight | 1088.99 g/mol |
| LogP | 28.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 64 |
| Exact Mass | 1088.9922 |
| Heavy Atoms | 77 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 68957-81-3 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C |
| InChIKey | SBSKDQAYPPMLKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异棕榈酸 (CAS 68957-81-3), with molecular formula C69H132O8 and molecular weight 1088.99 g/mol. IUPAC: [3-(14-methylpentadecanoyloxy)-2,2-bis(14-methylpentadecanoyloxymethyl)propyl] 14-methylpentadecanoate.
Chemical Property Profile of 异棕榈酸
Property Insights of 异棕榈酸
The XLogP value of 28.1 indicates that 异棕榈酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 异棕榈酸. Following Lipinski's Rule of Five, 异棕榈酸 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 异棕榈酸?
The CAS number of 异棕榈酸 is 68957-81-3.
What is the molecular formula of 异棕榈酸?
The molecular formula of 异棕榈酸 is C69H132O8.
What is the molecular weight of 异棕榈酸?
The molecular weight of 异棕榈酸 is 1088.99 g/mol.
Where can I buy 异棕榈酸?
You can request a quote for 异棕榈酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异棕榈酸?
Yes, KEHONG BIO provides custom synthesis services for 异棕榈酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.