5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide
TL;DR: 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide (CAS 53819-79-7) is a chemical compound with molecular formula C21H20N2O9 and molecular weight 444.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-6-[4-(2,5-dioxo-4-phenylimidazolidin-4-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Hpph glucuronide, p-OH-Pht-glucuronide, 4-Hydroxyphenytoin glucuronide, p-Hydroxyphenytoin glucuronide, 5-phenyl-5- hydantoinglucuronide
| Molecular Formula | C21H20N2O9 |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.11688 |
| Heavy Atoms | 32 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 53819-79-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O |
| InChIKey | RCYKZSJKDMUDIE-MXYJCWFVSA-N |
Product Overview
5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide (CAS 53819-79-7), with molecular formula C21H20N2O9 and molecular weight 444.12 g/mol. IUPAC: (2S,3S,4S,5R)-6-[4-(2,5-dioxo-4-phenylimidazolidin-4-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide
Property Insights of 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide. The TPSA of 175.0 Ų indicates high polarity, suggesting 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide?
The CAS number of 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide is 53819-79-7.
What is the molecular formula of 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide?
The molecular formula of 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide is C21H20N2O9.
What is the molecular weight of 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide?
The molecular weight of 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide is 444.12 g/mol.
Where can I buy 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide?
You can request a quote for 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.