2-十八烷硫基丁二酸
TL;DR: 2-十八烷硫基丁二酸 (CAS 85927-34-0) is a chemical compound with molecular formula C22H42O4S and molecular weight 402.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-十八烷硫基丁二酸
2-octadecylsulfanylbutanedioic acid
Also Known As: 2-octadecylsulfanylbutanedioic acid, 2-(octadecylthio)succinic acid, Octadecane sulphonyl succinic acid, Butanedioic acid, (octadecylthio)-, Octadecane sulphonyl succinic acid
| Molecular Formula | C22H42O4S |
|---|---|
| Molecular Weight | 402.28 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 21 |
| Exact Mass | 402.2804 |
| Heavy Atoms | 27 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 85927-34-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSC(CC(=O)O)C(=O)O |
| InChIKey | SBPJFOAXWHLHNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-十八烷硫基丁二酸 (CAS 85927-34-0), with molecular formula C22H42O4S and molecular weight 402.28 g/mol. IUPAC: 2-octadecylsulfanylbutanedioic acid.
Chemical Property Profile of 2-十八烷硫基丁二酸
Property Insights of 2-十八烷硫基丁二酸
The XLogP value of 8.8 indicates that 2-十八烷硫基丁二酸 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 2-十八烷硫基丁二酸. Following Lipinski's Rule of Five, 2-十八烷硫基丁二酸 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 2-十八烷硫基丁二酸?
The CAS number of 2-十八烷硫基丁二酸 is 85927-34-0.
What is the molecular formula of 2-十八烷硫基丁二酸?
The molecular formula of 2-十八烷硫基丁二酸 is C22H42O4S.
What is the molecular weight of 2-十八烷硫基丁二酸?
The molecular weight of 2-十八烷硫基丁二酸 is 402.28 g/mol.
Where can I buy 2-十八烷硫基丁二酸?
You can request a quote for 2-十八烷硫基丁二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-十八烷硫基丁二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-十八烷硫基丁二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.