2'-Hydroxymethylmethaqualone glucuronide
TL;DR: 2'-Hydroxymethylmethaqualone glucuronide (CAS 53551-53-4) is a chemical compound with molecular formula C22H22N2O8 and molecular weight 442.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methoxy]oxane-2-carboxylic acid
Also Known As: 2'-Hydroxymethylmethaqualone glucuronide, (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methoxy]oxane-2-carboxylic acid, 2-(2-methyl-4-oxoquinazolin-3(4h)-yl)benzyl, A-d-glucopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, (2-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)methyl
| Molecular Formula | C22H22N2O8 |
|---|---|
| Molecular Weight | 442.14 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.1376 |
| Heavy Atoms | 32 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 53551-53-4 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O |
| InChIKey | WBHLKSPUFNHOSS-KSSXRGRSSA-N |
Product Overview
2'-Hydroxymethylmethaqualone glucuronide (CAS 53551-53-4), with molecular formula C22H22N2O8 and molecular weight 442.14 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methoxy]oxane-2-carboxylic acid.
Chemical Property Profile of 2'-Hydroxymethylmethaqualone glucuronide
Property Insights of 2'-Hydroxymethylmethaqualone glucuronide
The XLogP value of -0.1 indicates that 2'-Hydroxymethylmethaqualone glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 2'-Hydroxymethylmethaqualone glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Hydroxymethylmethaqualone glucuronide has 4 hydrogen bond donor(s) and 9 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 2'-Hydroxymethylmethaqualone glucuronide?
The CAS number of 2'-Hydroxymethylmethaqualone glucuronide is 53551-53-4.
What is the molecular formula of 2'-Hydroxymethylmethaqualone glucuronide?
The molecular formula of 2'-Hydroxymethylmethaqualone glucuronide is C22H22N2O8.
What is the molecular weight of 2'-Hydroxymethylmethaqualone glucuronide?
The molecular weight of 2'-Hydroxymethylmethaqualone glucuronide is 442.14 g/mol.
Where can I buy 2'-Hydroxymethylmethaqualone glucuronide?
You can request a quote for 2'-Hydroxymethylmethaqualone glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Hydroxymethylmethaqualone glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 2'-Hydroxymethylmethaqualone glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.