Didodecyl 2-sulfanylbutanedioate
TL;DR: Didodecyl 2-sulfanylbutanedioate (CAS 63979-81-7) is a chemical compound with molecular formula C28H54O4S and molecular weight 486.37427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
didodecyl 2-sulfanylbutanedioate
Also Known As: Dilauryl thiomalate, didodecyl 2-sulfanylbutanedioate, USAF ND-63, didodecyl 2-sulfanylsuccinate, 2-Mercaptobutanedioic acid didodecyl ester
Technical Specifications
| Molecular Formula | C28H54O4S |
| Molecular Weight | 486.37427 g/mol |
| XLogP | 11.5 |
| Topological Polar Surface Area (TPSA) | 53.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 27 |
| Exact Mass | 486.37427 Da |
| Heavy Atoms | 33 |
| Complexity | 442.0 |
| SMILES | CCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCC)S |
| InChIKey | CMMCURXIPYQGBX-UHFFFAOYSA-N |
Chemical Property Profile of Didodecyl 2-sulfanylbutanedioate
Property Insights of Didodecyl 2-sulfanylbutanedioate
The XLogP value of 11.5 indicates that Didodecyl 2-sulfanylbutanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, Didodecyl 2-sulfanylbutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Didodecyl 2-sulfanylbutanedioate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Didodecyl 2-sulfanylbutanedioate?
The CAS number of Didodecyl 2-sulfanylbutanedioate is 63979-81-7.
What is the molecular formula of Didodecyl 2-sulfanylbutanedioate?
The molecular formula of Didodecyl 2-sulfanylbutanedioate is C28H54O4S.
What is the molecular weight of Didodecyl 2-sulfanylbutanedioate?
The molecular weight of Didodecyl 2-sulfanylbutanedioate is 486.37427 g/mol.
Where can I buy Didodecyl 2-sulfanylbutanedioate?
You can request a quote for Didodecyl 2-sulfanylbutanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Didodecyl 2-sulfanylbutanedioate?
Yes, CoreyChem provides custom synthesis services for Didodecyl 2-sulfanylbutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.