Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester
TL;DR: Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester (CAS 6729-96-0) is a chemical compound with molecular formula C42H82O4S2 and molecular weight 714.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 3-[(3-octadecoxy-3-oxopropyl)disulfanyl]propanoate
Also Known As: Dioctadecyl 3,3'-dithiodipropionate, Distearyl dithiopropionate, Distearyl 3,3'-dithiopropionate, Dioctadecyl 3,3'-dithiobispropionate, Propanoic acid,3'-dithiobis-
| Molecular Formula | C42H82O4S2 |
|---|---|
| Molecular Weight | 714.57 g/mol |
| LogP | 18.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 43 |
| Exact Mass | 714.5654 |
| Heavy Atoms | 48 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 6729-96-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCSSCCC(=O)OCCCCCCCCCCCCCCCCCC |
| InChIKey | XPNWIWHUGHAVLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester (CAS 6729-96-0), with molecular formula C42H82O4S2 and molecular weight 714.57 g/mol. IUPAC: octadecyl 3-[(3-octadecoxy-3-oxopropyl)disulfanyl]propanoate.
Chemical Property Profile of Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester
Property Insights of Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester
The XLogP value of 18.2 indicates that Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester. Following Lipinski's Rule of Five, Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester?
The CAS number of Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester is 6729-96-0.
What is the molecular formula of Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester?
The molecular formula of Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester is C42H82O4S2.
What is the molecular weight of Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester?
The molecular weight of Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester is 714.57 g/mol.
Where can I buy Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester?
You can request a quote for Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3,3'-dithiobis-, 1,1'-dioctadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.