5-Methylcoumarin-4-cellobioside
TL;DR: 5-Methylcoumarin-4-cellobioside (CAS 109974-31-4) is a chemical compound with molecular formula C22H28O13 and molecular weight 500.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-methylchromen-2-one
Also Known As: 5-Mccb, 5-Methylcoumarin-4-cellobioside, 4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-methylchromen-2-one, 5-Methyl-2-oxo-2H-1-benzopyran-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside, RefChem:103180
| Molecular Formula | C22H28O13 |
|---|---|
| Molecular Weight | 500.15 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.15298 |
| Heavy Atoms | 35 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 109974-31-4 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)OC(=O)C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
| InChIKey | HKXDQRBBOHHCKP-KGGQWWQZSA-N |
Product Overview
5-Methylcoumarin-4-cellobioside (CAS 109974-31-4), with molecular formula C22H28O13 and molecular weight 500.15 g/mol. IUPAC: 4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-methylchromen-2-one.
Chemical Property Profile of 5-Methylcoumarin-4-cellobioside
Property Insights of 5-Methylcoumarin-4-cellobioside
The XLogP value of -2.3 indicates that 5-Methylcoumarin-4-cellobioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting 5-Methylcoumarin-4-cellobioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Methylcoumarin-4-cellobioside has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Methylcoumarin-4-cellobioside?
The CAS number of 5-Methylcoumarin-4-cellobioside is 109974-31-4.
What is the molecular formula of 5-Methylcoumarin-4-cellobioside?
The molecular formula of 5-Methylcoumarin-4-cellobioside is C22H28O13.
What is the molecular weight of 5-Methylcoumarin-4-cellobioside?
The molecular weight of 5-Methylcoumarin-4-cellobioside is 500.15 g/mol.
Where can I buy 5-Methylcoumarin-4-cellobioside?
You can request a quote for 5-Methylcoumarin-4-cellobioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylcoumarin-4-cellobioside?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylcoumarin-4-cellobioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.