1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL
TL;DR: 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL (CAS 130727-41-2) is a chemical compound with molecular formula C17H36O4S and molecular weight 336.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethanol
Also Known As: Thiol-C9-PEG4, Cetyl mercaptan, Hexadecyl mercaptan, 1-(9-MERCAPTONONYL)-3,6,9-TRIOXAUNDECAN-11-OL, 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethanol
| Molecular Formula | C17H36O4S |
|---|---|
| Molecular Weight | 336.23 g/mol |
| LogP | 3.4692 |
| Topological Polar Surface Area | 47.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 336.23343 |
| Heavy Atoms | 22 |
| Complexity | 173.49776 |
Chemical Identifiers
| CAS Number | 130727-41-2 |
|---|---|
| SMILES | C(CCCCCOCCOCCOCCO)CCCCCS |
Product Overview
1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL (CAS 130727-41-2), with molecular formula C17H36O4S and molecular weight 336.23 g/mol. IUPAC: 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethanol.
Chemical Property Profile of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL
Property Insights of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL
The XLogP value of 3.4692 indicates that 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.92 Ų, 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL has 2 hydrogen bond donor(s) and 5 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 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL?
The CAS number of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL is 130727-41-2.
What is the molecular formula of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL?
The molecular formula of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL is C17H36O4S.
What is the molecular weight of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL?
The molecular weight of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL is 336.23 g/mol.
Where can I buy 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL?
You can request a quote for 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL?
Yes, KEHONG BIO provides custom synthesis services for 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.