RefChem:166469
TL;DR: RefChem:166469 (CAS 70851-05-7) is a chemical compound with molecular formula C31H64O13 and molecular weight 644.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;nonanoic acid;pentanoic acid
Also Known As: Dipentaerythritol, ester with valeric acid, enanthylic acid, and pelargonic acid, Nonanoic acid mixed esters with dipentaerythritol heptanoic acid valeric acid, Nonanoic acid, mixed esters with dipentaerythritol, heptanoic acid and valeric acid, heptanoic acid; 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; nonanoic acid; pentanoic acid, RefChem:166469
| Molecular Formula | C31H64O13 |
|---|---|
| Molecular Weight | 644.43 g/mol |
| LogP | 3.05 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 25 |
| Exact Mass | 644.4347 |
| Heavy Atoms | 44 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 70851-05-7 |
|---|---|
| SMILES | CCCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)COCC(CO)(CO)CO)O |
| InChIKey | LNUVGQOFIHGXJU-UHFFFAOYSA-N |
Product Overview
RefChem:166469 (CAS 70851-05-7), with molecular formula C31H64O13 and molecular weight 644.43 g/mol. IUPAC: heptanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;nonanoic acid;pentanoic acid.
Chemical Property Profile of RefChem:166469
Property Insights of RefChem:166469
The XLogP value of 3.05 indicates that RefChem:166469 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.0 Ų indicates high polarity, suggesting RefChem:166469 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:166469 has 9 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 RefChem:166469?
The CAS number of RefChem:166469 is 70851-05-7.
What is the molecular formula of RefChem:166469?
The molecular formula of RefChem:166469 is C31H64O13.
What is the molecular weight of RefChem:166469?
The molecular weight of RefChem:166469 is 644.43 g/mol.
Where can I buy RefChem:166469?
You can request a quote for RefChem:166469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:166469?
Yes, KEHONG BIO provides custom synthesis services for RefChem:166469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.