RefChem:131217
TL;DR: RefChem:131217 (CAS 68954-23-4) is a chemical compound with molecular formula C32H66O8 and molecular weight 578.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decanoic acid;2,2-dimethylpropane-1,3-diol;nonanoic acid;octanoic acid
Also Known As: Decanoic acid, mixed esters with neopentyl glycol, nonanoic acid and octanoic acid, decanoic acid; 2,2-dimethylpropane-1,3-diol; nonanoic acid;octanoic acid, decanoic acid; 2,2-dimethylpropane-1,3-diol; nonanoic acid; octanoic acid, decanoic acid;2,2-dimethylpropane-1,3-diol;nonanoic acid;octanoic acid, 273-241-4
| Molecular Formula | C32H66O8 |
|---|---|
| Molecular Weight | 578.48 g/mol |
| LogP | 8.46 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 23 |
| Exact Mass | 578.47577 |
| Heavy Atoms | 40 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 68954-23-4 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O.CCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(C)(CO)CO |
| InChIKey | BFTNWAONZJCVLY-UHFFFAOYSA-N |
Product Overview
RefChem:131217 (CAS 68954-23-4), with molecular formula C32H66O8 and molecular weight 578.48 g/mol. IUPAC: decanoic acid;2,2-dimethylpropane-1,3-diol;nonanoic acid;octanoic acid.
Chemical Property Profile of RefChem:131217
Property Insights of RefChem:131217
The XLogP value of 8.46 indicates that RefChem:131217 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting RefChem:131217 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:131217 has 5 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 RefChem:131217?
The CAS number of RefChem:131217 is 68954-23-4.
What is the molecular formula of RefChem:131217?
The molecular formula of RefChem:131217 is C32H66O8.
What is the molecular weight of RefChem:131217?
The molecular weight of RefChem:131217 is 578.48 g/mol.
Where can I buy RefChem:131217?
You can request a quote for RefChem:131217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:131217?
Yes, KEHONG BIO provides custom synthesis services for RefChem:131217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.