RefChem:131208
TL;DR: RefChem:131208 (CAS 68130-30-3) is a chemical compound with molecular formula C38H78O16 and molecular weight 790.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decanoic acid;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;octanoic acid;pentanoic acid
Also Known As: Tripentaerythritol, valeric acid, caprylic acid, capric acid mixed esters, Decanoic acid, ester with 2,2-bis((3-hydroxy-2,2-bis(hydroxymethyl)propoxy)methyl)-1,3-propanediol octanoate pentanoate, Decanoic acid, ester with 2,2-bis[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-1,3-propanediol octanoate pentanoate, Decanoic acid, mixed esters with octanoic acid, tripentaerythritol and valeric acid, decanoic acid; 2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; octanoic acid; pentanoic acid
| Molecular Formula | C38H78O16 |
|---|---|
| Molecular Weight | 790.53 g/mol |
| LogP | 2.82 |
| Topological Polar Surface Area | 292.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 33 |
| Exact Mass | 790.529 |
| Heavy Atoms | 54 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 68130-30-3 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO)O |
| InChIKey | NONSWEXFONADJS-UHFFFAOYSA-N |
Product Overview
RefChem:131208 (CAS 68130-30-3), with molecular formula C38H78O16 and molecular weight 790.53 g/mol. IUPAC: decanoic acid;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;octanoic acid;pentanoic acid.
Chemical Property Profile of RefChem:131208
Property Insights of RefChem:131208
The XLogP value of 2.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:131208. The TPSA of 292.0 Ų indicates high polarity, suggesting RefChem:131208 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:131208 has 11 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:131208?
The CAS number of RefChem:131208 is 68130-30-3.
What is the molecular formula of RefChem:131208?
The molecular formula of RefChem:131208 is C38H78O16.
What is the molecular weight of RefChem:131208?
The molecular weight of RefChem:131208 is 790.53 g/mol.
Where can I buy RefChem:131208?
You can request a quote for RefChem:131208 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:131208?
Yes, KEHONG BIO provides custom synthesis services for RefChem:131208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.