1-Mercaptododecan-2-ol
TL;DR: 1-Mercaptododecan-2-ol (CAS 20611-11-4) is a chemical compound with molecular formula C12H26OS and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-sulfanyldodecan-2-ol
Also Known As: 1-sulfanyldodecan-2-ol, 1-Mercaptododecan-2-ol, 1-Mercapto-2-dodecanol, 2-Dodecanol,1-mercapto-, EINECS 243-918-9
| Molecular Formula | C12H26OS |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 218.17044 |
| Heavy Atoms | 14 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 20611-11-4 |
|---|---|
| SMILES | CCCCCCCCCCC(CS)O |
| InChIKey | GGMUJCCSBRQVTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Mercaptododecan-2-ol (CAS 20611-11-4), with molecular formula C12H26OS and molecular weight 218.17 g/mol. IUPAC: 1-sulfanyldodecan-2-ol.
Chemical Property Profile of 1-Mercaptododecan-2-ol
Property Insights of 1-Mercaptododecan-2-ol
The XLogP value of 4.9 indicates that 1-Mercaptododecan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.2 Ų, 1-Mercaptododecan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Mercaptododecan-2-ol has 2 hydrogen bond donor(s) and 2 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-Mercaptododecan-2-ol?
The CAS number of 1-Mercaptododecan-2-ol is 20611-11-4.
What is the molecular formula of 1-Mercaptododecan-2-ol?
The molecular formula of 1-Mercaptododecan-2-ol is C12H26OS.
What is the molecular weight of 1-Mercaptododecan-2-ol?
The molecular weight of 1-Mercaptododecan-2-ol is 218.17 g/mol.
Where can I buy 1-Mercaptododecan-2-ol?
You can request a quote for 1-Mercaptododecan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Mercaptododecan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Mercaptododecan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.