n-Heptyl-b-d-thioglucopyranoside
TL;DR: n-Heptyl-b-d-thioglucopyranoside (CAS 85618-20-8) is a chemical compound with molecular formula C13H26O5S and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Heptyl 1-thioglucoside, Heptyl 1-thiohexopyranoside, Heptyl b-D-thioglucopyranoside, Heptyl 1-thiohexopyranoside #, n-heptyl-b-d-thioglucopyranoside
| Molecular Formula | C13H26O5S |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 294.1501 |
| Heavy Atoms | 19 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 85618-20-8 |
|---|---|
| SMILES | CCCCCCCSC1C(C(C(C(O1)CO)O)O)O |
| InChIKey | HPEGNLMTTNTJSP-UHFFFAOYSA-N |
Product Overview
n-Heptyl-b-d-thioglucopyranoside (CAS 85618-20-8), with molecular formula C13H26O5S and molecular weight 294.15 g/mol. IUPAC: 2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of n-Heptyl-b-d-thioglucopyranoside
Property Insights of n-Heptyl-b-d-thioglucopyranoside
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Heptyl-b-d-thioglucopyranoside. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Heptyl-b-d-thioglucopyranoside. Following Lipinski's Rule of Five, n-Heptyl-b-d-thioglucopyranoside 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
Frequently Asked Questions
What is the CAS number of n-Heptyl-b-d-thioglucopyranoside?
The CAS number of n-Heptyl-b-d-thioglucopyranoside is 85618-20-8.
What is the molecular formula of n-Heptyl-b-d-thioglucopyranoside?
The molecular formula of n-Heptyl-b-d-thioglucopyranoside is C13H26O5S.
What is the molecular weight of n-Heptyl-b-d-thioglucopyranoside?
The molecular weight of n-Heptyl-b-d-thioglucopyranoside is 294.15 g/mol.
Where can I buy n-Heptyl-b-d-thioglucopyranoside?
You can request a quote for n-Heptyl-b-d-thioglucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Heptyl-b-d-thioglucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for n-Heptyl-b-d-thioglucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.