2,2'-二硫双己酸
TL;DR: 2,2'-二硫双己酸 (CAS 22414-91-1) is a chemical compound with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2'-二硫双己酸
2-(1-carboxypentyldisulfanyl)hexanoic acid
Also Known As: 2,2'-Dithiobishexanoic acid, 2,2'-Disulfohexanoic acid, LIPEXAL, alpha,alpha-dithiocaproic acid, 2,2'-dithiobis-hexanoic acid,
| Molecular Formula | C12H22O4S2 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 294.09595 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 22414-91-1 |
|---|---|
| SMILES | CCCCC(C(=O)O)SSC(CCCC)C(=O)O |
| InChIKey | MWPDZNLNSAHLMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-二硫双己酸 (CAS 22414-91-1), with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol. IUPAC: 2-(1-carboxypentyldisulfanyl)hexanoic acid.
Chemical Property Profile of 2,2'-二硫双己酸
Property Insights of 2,2'-二硫双己酸
The XLogP value of 3.8 indicates that 2,2'-二硫双己酸 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 2,2'-二硫双己酸. Following Lipinski's Rule of Five, 2,2'-二硫双己酸 has 2 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 2,2'-二硫双己酸?
The CAS number of 2,2'-二硫双己酸 is 22414-91-1.
What is the molecular formula of 2,2'-二硫双己酸?
The molecular formula of 2,2'-二硫双己酸 is C12H22O4S2.
What is the molecular weight of 2,2'-二硫双己酸?
The molecular weight of 2,2'-二硫双己酸 is 294.10 g/mol.
Where can I buy 2,2'-二硫双己酸?
You can request a quote for 2,2'-二硫双己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-二硫双己酸?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-二硫双己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.