4-Nonylumbelliferyl glucoside
TL;DR: 4-Nonylumbelliferyl glucoside (CAS 100443-44-5) is a chemical compound with molecular formula C24H34O8 and molecular weight 450.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nonyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Also Known As: 4-Nonylumbelliferyl glucoside, 4-Nonyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranoside, 4-nonyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one, RefChem:100176
| Molecular Formula | C24H34O8 |
|---|---|
| Molecular Weight | 450.23 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 450.22537 |
| Heavy Atoms | 32 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 100443-44-5 |
|---|---|
| SMILES | CCCCCCCCCC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | MQILYRRBBFTJFC-PFKOEMKTSA-N |
Product Overview
4-Nonylumbelliferyl glucoside (CAS 100443-44-5), with molecular formula C24H34O8 and molecular weight 450.23 g/mol. IUPAC: 4-nonyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one.
Chemical Property Profile of 4-Nonylumbelliferyl glucoside
Property Insights of 4-Nonylumbelliferyl glucoside
The XLogP value of 3.4 indicates that 4-Nonylumbelliferyl glucoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nonylumbelliferyl glucoside. Following Lipinski's Rule of Five, 4-Nonylumbelliferyl glucoside has 4 hydrogen bond donor(s) and 8 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 4-Nonylumbelliferyl glucoside?
The CAS number of 4-Nonylumbelliferyl glucoside is 100443-44-5.
What is the molecular formula of 4-Nonylumbelliferyl glucoside?
The molecular formula of 4-Nonylumbelliferyl glucoside is C24H34O8.
What is the molecular weight of 4-Nonylumbelliferyl glucoside?
The molecular weight of 4-Nonylumbelliferyl glucoside is 450.23 g/mol.
Where can I buy 4-Nonylumbelliferyl glucoside?
You can request a quote for 4-Nonylumbelliferyl glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nonylumbelliferyl glucoside?
Yes, KEHONG BIO provides custom synthesis services for 4-Nonylumbelliferyl glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.