5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid
TL;DR: 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid (CAS 4753-03-1) is a chemical compound with molecular formula C25H40O4S2 and molecular weight 468.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-carboxyethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylpropanoic acid
Also Known As: Skf 102081, 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid, SK&F-102081, SK&F 102081, Propanoic acid, 3,3'-(((2-dodecylphenyl)methylene)bis(thio))bis-
| Molecular Formula | C25H40O4S2 |
|---|---|
| Molecular Weight | 468.24 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 468.23682 |
| Heavy Atoms | 31 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 4753-03-1 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=CC=C1C(SCCC(=O)O)SCCC(=O)O |
| InChIKey | PEDBVGXUGSZQBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid (CAS 4753-03-1), with molecular formula C25H40O4S2 and molecular weight 468.24 g/mol. IUPAC: 3-[2-carboxyethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylpropanoic acid.
Chemical Property Profile of 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid
Property Insights of 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid
The XLogP value of 8.4 indicates that 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid. Following Lipinski's Rule of Five, 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid has 2 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 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid?
The CAS number of 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid is 4753-03-1.
What is the molecular formula of 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid?
The molecular formula of 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid is C25H40O4S2.
What is the molecular weight of 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid?
The molecular weight of 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid is 468.24 g/mol.
Where can I buy 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid?
You can request a quote for 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.