2-(十二烷硫基)丁二酸
TL;DR: 2-(十二烷硫基)丁二酸 (CAS 6188-78-9) is a chemical compound with molecular formula C16H30O4S and molecular weight 318.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(十二烷硫基)丁二酸
2-dodecylsulfanylbutanedioic acid
Also Known As: (Dodecylmercapto)succinic acid, Succinic acid, (dodecylthio)-, 2-dodecylsulfanylbutanedioic acid, 2-(dodecylsulfanyl)butanedioic acid, Dodecane sulphonyl succinic acid
| Molecular Formula | C16H30O4S |
|---|---|
| Molecular Weight | 318.19 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 318.1865 |
| Heavy Atoms | 21 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 6188-78-9 |
|---|---|
| SMILES | CCCCCCCCCCCCSC(CC(=O)O)C(=O)O |
| InChIKey | RCBWERUHDMBSFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(十二烷硫基)丁二酸 (CAS 6188-78-9), with molecular formula C16H30O4S and molecular weight 318.19 g/mol. IUPAC: 2-dodecylsulfanylbutanedioic acid.
Chemical Property Profile of 2-(十二烷硫基)丁二酸
Property Insights of 2-(十二烷硫基)丁二酸
The XLogP value of 5.6 indicates that 2-(十二烷硫基)丁二酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(十二烷硫基)丁二酸. Following Lipinski's Rule of Five, 2-(十二烷硫基)丁二酸 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(十二烷硫基)丁二酸?
The CAS number of 2-(十二烷硫基)丁二酸 is 6188-78-9.
What is the molecular formula of 2-(十二烷硫基)丁二酸?
The molecular formula of 2-(十二烷硫基)丁二酸 is C16H30O4S.
What is the molecular weight of 2-(十二烷硫基)丁二酸?
The molecular weight of 2-(十二烷硫基)丁二酸 is 318.19 g/mol.
Where can I buy 2-(十二烷硫基)丁二酸?
You can request a quote for 2-(十二烷硫基)丁二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(十二烷硫基)丁二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(十二烷硫基)丁二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.