Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester
TL;DR: Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester (CAS 6975-31-1) is a chemical compound with molecular formula C14H26O4S and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-(3-butoxy-3-oxopropyl)sulfanylpropanoate
Also Known As: Dibutyl 3,3'-thiodipropionate, Dibutyl thiodipropionate, Dibutyl 3,3'-thiobispropionate, butyl 3-(3-butoxy-3-oxopropyl)sulfanylpropanoate, dibutyl 3,3'-sulfanediyldipropanoate
| Molecular Formula | C14H26O4S |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 290.15518 |
| Heavy Atoms | 19 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 6975-31-1 |
|---|---|
| SMILES | CCCCOC(=O)CCSCCC(=O)OCCCC |
| InChIKey | HPVVIIKTKWMIGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester (CAS 6975-31-1), with molecular formula C14H26O4S and molecular weight 290.16 g/mol. IUPAC: butyl 3-(3-butoxy-3-oxopropyl)sulfanylpropanoate.
Chemical Property Profile of Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester
Property Insights of Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester
The XLogP value of 3.0 indicates that Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester. Following Lipinski's Rule of Five, Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester?
The CAS number of Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester is 6975-31-1.
What is the molecular formula of Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester?
The molecular formula of Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester is C14H26O4S.
What is the molecular weight of Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester?
The molecular weight of Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester is 290.16 g/mol.
Where can I buy Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester?
You can request a quote for Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl 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'-thiobis-, 1,1'-dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.