RefChem:71398
TL;DR: RefChem:71398 (CAS 68511-47-7) is a chemical compound with molecular formula C47H92O14 and molecular weight 880.65 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;2-hydroxypropane-1,2,3-tricarboxylic acid;octadecanoic acid;(Z)-octadec-9-en-1-ol
Also Known As: esters (chemical category), Pentaerythritol, oleyl alcohol esters of stearic and citric acids, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixed esters with oleyl alc., pentaerythritol and stearic acid, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixed esters with oleyl alc, pentaerythritol and stearic acid, 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-hydroxypropane-1,2,3-tricarboxylic acid; octadecanoic acid; (Z)-octadec-9-en-1-ol
| Molecular Formula | C47H92O14 |
|---|---|
| Molecular Weight | 880.65 g/mol |
| LogP | 9.0422 |
| Topological Polar Surface Area | 270.58 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 40 |
| Exact Mass | 880.6487 |
| Heavy Atoms | 61 |
| Complexity | 966.4193 |
Chemical Identifiers
| CAS Number | 68511-47-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCCO.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(CO)(CO)CO)O |
Product Overview
RefChem:71398 (CAS 68511-47-7), with molecular formula C47H92O14 and molecular weight 880.65 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;2-hydroxypropane-1,2,3-tricarboxylic acid;octadecanoic acid;(Z)-octadec-9-en-1-ol.
Chemical Property Profile of RefChem:71398
Property Insights of RefChem:71398
The XLogP value of 9.0422 indicates that RefChem:71398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 270.58 Ų indicates high polarity, suggesting RefChem:71398 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:71398 has 10 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 RefChem:71398?
The CAS number of RefChem:71398 is 68511-47-7.
What is the molecular formula of RefChem:71398?
The molecular formula of RefChem:71398 is C47H92O14.
What is the molecular weight of RefChem:71398?
The molecular weight of RefChem:71398 is 880.65 g/mol.
Where can I buy RefChem:71398?
You can request a quote for RefChem:71398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71398?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.