5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid
TL;DR: 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid (CAS 95061-94-2) is a chemical compound with molecular formula C22H40O5S and molecular weight 416.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid
Also Known As: DN-Lte(1), Desamino-2-norleukotriene E1, 4-Hydroxy-5-((2-carboxyethyl)thio)-6-nonadecenoic acid, 5-(2-carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid
| Molecular Formula | C22H40O5S |
|---|---|
| Molecular Weight | 416.26 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 416.25964 |
| Heavy Atoms | 28 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 95061-94-2 |
|---|---|
| SMILES | CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SCCC(=O)O |
| InChIKey | VXONFJQHQJLICT-UHFFFAOYSA-N |
Product Overview
5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid (CAS 95061-94-2), with molecular formula C22H40O5S and molecular weight 416.26 g/mol. IUPAC: 5-(2-carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid.
Chemical Property Profile of 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid
Property Insights of 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid
The XLogP value of 6.4 indicates that 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid. Following Lipinski's Rule of Five, 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid has 3 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-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid?
The CAS number of 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid is 95061-94-2.
What is the molecular formula of 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid?
The molecular formula of 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid is C22H40O5S.
What is the molecular weight of 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid?
The molecular weight of 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid is 416.26 g/mol.
Where can I buy 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid?
You can request a quote for 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic 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-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.