5-Hydroxyrofecoxib glucuronide
TL;DR: 5-Hydroxyrofecoxib glucuronide (CAS 308364-83-2) is a chemical compound with molecular formula C23H24O11S and molecular weight 508.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methylsulfonylphenyl)-5-oxo-4-phenyloxolan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: 5-hydroxyrofecoxib glucuronide, 5-hydroxyrofecoxib-O-glucuronide, O-glucuronide of 5-hydroxyrofecoxib, 3-[4-(Methanesulfonyl)phenyl]-5-oxo-4-phenyloxolan-2-yl beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methylsulfonylphenyl)-5-oxo-4-phenyloxolan-2-yl]oxyoxane-2-carboxylic acid
| Molecular Formula | C23H24O11S |
|---|---|
| Molecular Weight | 508.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.10394 |
| Heavy Atoms | 35 |
| Complexity | 872.0 |
Chemical Identifiers
| CAS Number | 308364-83-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C2C(C(=O)OC2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=CC=C4 |
| InChIKey | CREPVPXECXYFRQ-CKIVNQHPSA-N |
Product Overview
5-Hydroxyrofecoxib glucuronide (CAS 308364-83-2), with molecular formula C23H24O11S and molecular weight 508.10 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methylsulfonylphenyl)-5-oxo-4-phenyloxolan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of 5-Hydroxyrofecoxib glucuronide
Property Insights of 5-Hydroxyrofecoxib glucuronide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxyrofecoxib glucuronide. The TPSA of 185.0 Ų indicates high polarity, suggesting 5-Hydroxyrofecoxib glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Hydroxyrofecoxib glucuronide has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Hydroxyrofecoxib glucuronide?
The CAS number of 5-Hydroxyrofecoxib glucuronide is 308364-83-2.
What is the molecular formula of 5-Hydroxyrofecoxib glucuronide?
The molecular formula of 5-Hydroxyrofecoxib glucuronide is C23H24O11S.
What is the molecular weight of 5-Hydroxyrofecoxib glucuronide?
The molecular weight of 5-Hydroxyrofecoxib glucuronide is 508.10 g/mol.
Where can I buy 5-Hydroxyrofecoxib glucuronide?
You can request a quote for 5-Hydroxyrofecoxib glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxyrofecoxib glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxyrofecoxib glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.