Dibutyl 2,2'-dithiodiacetate
TL;DR: Dibutyl 2,2'-dithiodiacetate (CAS 23959-95-7) is a chemical compound with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[(2-butoxy-2-oxoethyl)disulfanyl]acetate
Also Known As: Dibutyl 2,2'-dithiodiacetate, Dibutyl dithiodigylcolate, Dibutyl dithioglycolate, dibutyl dithiodiglycolate, Aliphatic disulfide analog
| Molecular Formula | C12H22O4S2 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 294.09595 |
| Heavy Atoms | 18 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 23959-95-7 |
|---|---|
| SMILES | CCCCOC(=O)CSSCC(=O)OCCCC |
| InChIKey | RUKRYLBUAIGWQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl 2,2'-dithiodiacetate (CAS 23959-95-7), with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol. IUPAC: butyl 2-[(2-butoxy-2-oxoethyl)disulfanyl]acetate.
Chemical Property Profile of Dibutyl 2,2'-dithiodiacetate
Property Insights of Dibutyl 2,2'-dithiodiacetate
The XLogP value of 3.3 indicates that Dibutyl 2,2'-dithiodiacetate 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 Dibutyl 2,2'-dithiodiacetate. Following Lipinski's Rule of Five, Dibutyl 2,2'-dithiodiacetate has 0 hydrogen bond donor(s) and 6 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 Dibutyl 2,2'-dithiodiacetate?
The CAS number of Dibutyl 2,2'-dithiodiacetate is 23959-95-7.
What is the molecular formula of Dibutyl 2,2'-dithiodiacetate?
The molecular formula of Dibutyl 2,2'-dithiodiacetate is C12H22O4S2.
What is the molecular weight of Dibutyl 2,2'-dithiodiacetate?
The molecular weight of Dibutyl 2,2'-dithiodiacetate is 294.10 g/mol.
Where can I buy Dibutyl 2,2'-dithiodiacetate?
You can request a quote for Dibutyl 2,2'-dithiodiacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl 2,2'-dithiodiacetate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl 2,2'-dithiodiacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.