Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol
TL;DR: Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol (CAS 71022-62-3) is a chemical compound with molecular formula C18H36O10 and molecular weight 412.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)propane-1,3-diol;heptanoic acid;hexanedioic acid
Also Known As: N-Phenethylisobutyramide, Dicupric 4,4'-carbonyldiphthalate, propanamide, 2-methyl-n-(2-phenylethyl)-, ADIPIC ACID; HEPTANOIC ACID; PENTEK, dicopper,4-(3,4-dicarboxylatobenzoyl)phthalate
| Molecular Formula | C18H36O10 |
|---|---|
| Molecular Weight | 412.23 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 412.23083 |
| Heavy Atoms | 28 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 71022-62-3 |
|---|---|
| SMILES | CCCCCCC(=O)O.C(CCC(=O)O)CC(=O)O.C(C(CO)(CO)CO)O |
| InChIKey | NOKCKSWIXCXPJP-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol (CAS 71022-62-3), with molecular formula C18H36O10 and molecular weight 412.23 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;heptanoic acid;hexanedioic acid.
Chemical Property Profile of Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol
Property Insights of Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol. The TPSA of 193.0 Ų indicates high polarity, suggesting Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol?
The CAS number of Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol is 71022-62-3.
What is the molecular formula of Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol?
The molecular formula of Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol is C18H36O10.
What is the molecular weight of Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol?
The molecular weight of Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol is 412.23 g/mol.
Where can I buy Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol?
You can request a quote for Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, mixed esters with heptanoic acid and pentaerythritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.