8-Hydroxycarvedilol O-glucuronide
TL;DR: 8-Hydroxycarvedilol O-glucuronide (CAS 136657-39-1) is a chemical compound with molecular formula C30H34N2O11 and molecular weight 598.21625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[5-[(2R)-2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-1-yl]oxy]oxane-2-carboxylic acid
Also Known As: 8-Ohcg, 8-Hydroxycarvedilol O-glucuronide, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[5-[(2R)-2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-1-yl]oxy]oxane-2-carboxylic acid, 5-(2-Hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy)-9H-carbazol-1-yl hexopyranosiduronic acid, 5-[(2R)-2-Hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy]-9H-carbazol-1-yl beta-D-glucopyranosiduronic acid
Technical Specifications
| Molecular Formula | C30H34N2O11 |
| Molecular Weight | 598.21625 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 192.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 598.21625 Da |
| Heavy Atoms | 43 |
| Complexity | 885.0 |
| SMILES | COC1=CC=CC=C1OCCNC[C@H](COC2=CC=CC3=C2C4=C(N3)C(=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O |
| InChIKey | VNOMSNHAOHVOPZ-IVODMCMDSA-N |
Chemical Property Profile of 8-Hydroxycarvedilol O-glucuronide
Property Insights of 8-Hydroxycarvedilol O-glucuronide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Hydroxycarvedilol O-glucuronide. The TPSA of 192.0 Ų indicates high polarity, suggesting 8-Hydroxycarvedilol O-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Hydroxycarvedilol O-glucuronide has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 8-Hydroxycarvedilol O-glucuronide?
The CAS number of 8-Hydroxycarvedilol O-glucuronide is 136657-39-1.
What is the molecular formula of 8-Hydroxycarvedilol O-glucuronide?
The molecular formula of 8-Hydroxycarvedilol O-glucuronide is C30H34N2O11.
What is the molecular weight of 8-Hydroxycarvedilol O-glucuronide?
The molecular weight of 8-Hydroxycarvedilol O-glucuronide is 598.21625 g/mol.
Where can I buy 8-Hydroxycarvedilol O-glucuronide?
You can request a quote for 8-Hydroxycarvedilol O-glucuronide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Hydroxycarvedilol O-glucuronide?
Yes, CoreyChem provides custom synthesis services for 8-Hydroxycarvedilol O-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.