n-Heptyl beta-D-thioglucoside
TL;DR: n-Heptyl beta-D-thioglucoside (CAS 148466-41-5) is a chemical compound with molecular formula C13H26O5S and molecular weight 294.1501 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4S,5S,6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Heptyl 1-thiohexopyranoside, Heptyl b-D-thioglucopyranoside, Heptyl 1-thioglucoside, N-Heptylthioglucoside, n-Heptyl
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H26O5S |
| Molecular Weight | 294.1501 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 294.1501 Da |
| Heavy Atoms | 19 |
| Complexity | 241.0 |
| SMILES | CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | HPEGNLMTTNTJSP-LBELIVKGSA-N |
Chemical Property Profile of n-Heptyl beta-D-thioglucoside
Property Insights of n-Heptyl beta-D-thioglucoside
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Heptyl beta-D-thioglucoside. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Heptyl beta-D-thioglucoside. Following Lipinski's Rule of Five, n-Heptyl beta-D-thioglucoside has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of n-Heptyl beta-D-thioglucoside?
The CAS number of n-Heptyl beta-D-thioglucoside is 148466-41-5.
What is the molecular formula of n-Heptyl beta-D-thioglucoside?
The molecular formula of n-Heptyl beta-D-thioglucoside is C13H26O5S.
What is the molecular weight of n-Heptyl beta-D-thioglucoside?
The molecular weight of n-Heptyl beta-D-thioglucoside is 294.1501 g/mol.
Where can I buy n-Heptyl beta-D-thioglucoside?
You can request a quote for n-Heptyl beta-D-thioglucoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n-Heptyl beta-D-thioglucoside?
Yes, CoreyChem provides custom synthesis services for n-Heptyl beta-D-thioglucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.