Diethyl 2,2'-disulfanediyldiacetate
TL;DR: Diethyl 2,2'-disulfanediyldiacetate (CAS 20195-94-2) is a chemical compound with molecular formula C8H14O4S2 and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-ethoxy-2-oxoethyl)disulfanyl]acetate
Also Known As: diethyl 2,2'-disulfanediyldiacetate, FCN437 Impurity 1, FCN-437c Impurity 6, diethyl 3,4-dithiaadipate, Dithiobisacetic acid diethyl ester
| Molecular Formula | C8H14O4S2 |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 238.03336 |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 20195-94-2 |
|---|---|
| SMILES | CCOC(=O)CSSCC(=O)OCC |
| InChIKey | NBOJYJYURAPWCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,2'-disulfanediyldiacetate (CAS 20195-94-2), with molecular formula C8H14O4S2 and molecular weight 238.03 g/mol. IUPAC: ethyl 2-[(2-ethoxy-2-oxoethyl)disulfanyl]acetate.
Chemical Property Profile of Diethyl 2,2'-disulfanediyldiacetate
Property Insights of Diethyl 2,2'-disulfanediyldiacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2'-disulfanediyldiacetate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2'-disulfanediyldiacetate. Following Lipinski's Rule of Five, Diethyl 2,2'-disulfanediyldiacetate 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 Diethyl 2,2'-disulfanediyldiacetate?
The CAS number of Diethyl 2,2'-disulfanediyldiacetate is 20195-94-2.
What is the molecular formula of Diethyl 2,2'-disulfanediyldiacetate?
The molecular formula of Diethyl 2,2'-disulfanediyldiacetate is C8H14O4S2.
What is the molecular weight of Diethyl 2,2'-disulfanediyldiacetate?
The molecular weight of Diethyl 2,2'-disulfanediyldiacetate is 238.03 g/mol.
Where can I buy Diethyl 2,2'-disulfanediyldiacetate?
You can request a quote for Diethyl 2,2'-disulfanediyldiacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-disulfanediyldiacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-disulfanediyldiacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.