Dibutyl methylenedithiodi(acetate)
TL;DR: Dibutyl methylenedithiodi(acetate) (CAS 14338-82-0) is a chemical compound with molecular formula C13H24O4S2 and molecular weight 308.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[(2-butoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate
Also Known As: Dibutyl Methylenebis(thioglycolate), 1,3-Dicaprin, Dibutyl methylenedithiodi(acetate), Acetic acid, 2,2'-[methylenebis(thio)]bis-, dibutyl ester, Acetic acid, 2,2'-[methylenebis(thio)]bis-, 1,1'-dibutyl ester
| Molecular Formula | C13H24O4S2 |
|---|---|
| Molecular Weight | 308.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 308.1116 |
| Heavy Atoms | 19 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 14338-82-0 |
|---|---|
| SMILES | CCCCOC(=O)CSCSCC(=O)OCCCC |
| InChIKey | QCWRDNFBMVSDEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl methylenedithiodi(acetate) (CAS 14338-82-0), with molecular formula C13H24O4S2 and molecular weight 308.11 g/mol. IUPAC: butyl 2-[(2-butoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate.
Chemical Property Profile of Dibutyl methylenedithiodi(acetate)
Property Insights of Dibutyl methylenedithiodi(acetate)
The XLogP value of 4.0 indicates that Dibutyl methylenedithiodi(acetate) 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 methylenedithiodi(acetate). Following Lipinski's Rule of Five, Dibutyl methylenedithiodi(acetate) 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 methylenedithiodi(acetate)?
The CAS number of Dibutyl methylenedithiodi(acetate) is 14338-82-0.
What is the molecular formula of Dibutyl methylenedithiodi(acetate)?
The molecular formula of Dibutyl methylenedithiodi(acetate) is C13H24O4S2.
What is the molecular weight of Dibutyl methylenedithiodi(acetate)?
The molecular weight of Dibutyl methylenedithiodi(acetate) is 308.11 g/mol.
Where can I buy Dibutyl methylenedithiodi(acetate)?
You can request a quote for Dibutyl methylenedithiodi(acetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl methylenedithiodi(acetate)?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl methylenedithiodi(acetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.