Thymol beta-D-glucopyranoside
TL;DR: Thymol beta-D-glucopyranoside (CAS 20772-23-0) is a chemical compound with molecular formula C16H24O6 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylphenoxy)oxane-3,4,5-triol
Also Known As: Thymol glucoside, Thymol-beta-D-glucoside, Thymolglucoside, thymol-glucoside, THYMOL-B-D-GLUCOPYRANOSIDE
| Molecular Formula | C16H24O6 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.1573 |
| Heavy Atoms | 22 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 20772-23-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | GKQGIQVSMCHAFX-IBEHDNSVSA-N |
Product Overview
Thymol beta-D-glucopyranoside (CAS 20772-23-0), with molecular formula C16H24O6 and molecular weight 312.16 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylphenoxy)oxane-3,4,5-triol.
Chemical Property Profile of Thymol beta-D-glucopyranoside
Property Insights of Thymol beta-D-glucopyranoside
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymol beta-D-glucopyranoside. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymol beta-D-glucopyranoside. Following Lipinski's Rule of Five, Thymol beta-D-glucopyranoside 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 Thymol beta-D-glucopyranoside?
The CAS number of Thymol beta-D-glucopyranoside is 20772-23-0.
What is the molecular formula of Thymol beta-D-glucopyranoside?
The molecular formula of Thymol beta-D-glucopyranoside is C16H24O6.
What is the molecular weight of Thymol beta-D-glucopyranoside?
The molecular weight of Thymol beta-D-glucopyranoside is 312.16 g/mol.
Where can I buy Thymol beta-D-glucopyranoside?
You can request a quote for Thymol beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymol beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Thymol beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.