5-(Octylsulfanyl)pentanoic acid
TL;DR: 5-(Octylsulfanyl)pentanoic acid (CAS 119290-09-4) is a chemical compound with molecular formula C13H26O2S and molecular weight 246.16534 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-octylsulfanylpentanoic acid
Also Known As: 5-(octylsulfanyl)pentanoic acid, 5-octylsulfanylpentanoic acid, 5-(Octylthio)pentanoic acid, 5-octylthiopentanoic acid, 5-n-Octylsulfanylpentanoic acid
Technical Specifications
| Molecular Formula | C13H26O2S |
| Molecular Weight | 246.16534 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 246.16534 Da |
| Heavy Atoms | 16 |
| Complexity | 160.0 |
| SMILES | CCCCCCCCSCCCCC(=O)O |
| InChIKey | PUCWEEYLJDJFDB-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Octylsulfanyl)pentanoic acid
Property Insights of 5-(Octylsulfanyl)pentanoic acid
The XLogP value of 4.5 indicates that 5-(Octylsulfanyl)pentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Octylsulfanyl)pentanoic acid. Following Lipinski's Rule of Five, 5-(Octylsulfanyl)pentanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(Octylsulfanyl)pentanoic acid?
The CAS number of 5-(Octylsulfanyl)pentanoic acid is 119290-09-4.
What is the molecular formula of 5-(Octylsulfanyl)pentanoic acid?
The molecular formula of 5-(Octylsulfanyl)pentanoic acid is C13H26O2S.
What is the molecular weight of 5-(Octylsulfanyl)pentanoic acid?
The molecular weight of 5-(Octylsulfanyl)pentanoic acid is 246.16534 g/mol.
Where can I buy 5-(Octylsulfanyl)pentanoic acid?
You can request a quote for 5-(Octylsulfanyl)pentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Octylsulfanyl)pentanoic acid?
Yes, CoreyChem provides custom synthesis services for 5-(Octylsulfanyl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.