Dioctadecyl 2,2'-disulfanediyldiacetate
TL;DR: Dioctadecyl 2,2'-disulfanediyldiacetate (CAS 2034-25-5) is a chemical compound with molecular formula C40H78O4S2 and molecular weight 686.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 2-[(2-octadecoxy-2-oxoethyl)disulfanyl]acetate
Also Known As: dioctadecyl 2,2'-disulfanediyldiacetate, octadecyl 2-[(2-octadecoxy-2-oxoethyl)disulfanyl]acetate, Aceticacid, 2,2'-dithiobis-, dioctadecyl ester (9CI)
| Molecular Formula | C40H78O4S2 |
|---|---|
| Molecular Weight | 686.53 g/mol |
| LogP | 18.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 41 |
| Exact Mass | 686.5342 |
| Heavy Atoms | 46 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 2034-25-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CSSCC(=O)OCCCCCCCCCCCCCCCCCC |
| InChIKey | GHGUNJSYSJPISS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dioctadecyl 2,2'-disulfanediyldiacetate (CAS 2034-25-5), with molecular formula C40H78O4S2 and molecular weight 686.53 g/mol. IUPAC: octadecyl 2-[(2-octadecoxy-2-oxoethyl)disulfanyl]acetate.
Chemical Property Profile of Dioctadecyl 2,2'-disulfanediyldiacetate
Property Insights of Dioctadecyl 2,2'-disulfanediyldiacetate
The XLogP value of 18.4 indicates that Dioctadecyl 2,2'-disulfanediyldiacetate 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 Dioctadecyl 2,2'-disulfanediyldiacetate. Following Lipinski's Rule of Five, Dioctadecyl 2,2'-disulfanediyldiacetate 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 Dioctadecyl 2,2'-disulfanediyldiacetate?
The CAS number of Dioctadecyl 2,2'-disulfanediyldiacetate is 2034-25-5.
What is the molecular formula of Dioctadecyl 2,2'-disulfanediyldiacetate?
The molecular formula of Dioctadecyl 2,2'-disulfanediyldiacetate is C40H78O4S2.
What is the molecular weight of Dioctadecyl 2,2'-disulfanediyldiacetate?
The molecular weight of Dioctadecyl 2,2'-disulfanediyldiacetate is 686.53 g/mol.
Where can I buy Dioctadecyl 2,2'-disulfanediyldiacetate?
You can request a quote for Dioctadecyl 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 Dioctadecyl 2,2'-disulfanediyldiacetate?
Yes, KEHONG BIO provides custom synthesis services for Dioctadecyl 2,2'-disulfanediyldiacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.