Alprenolol glucuronide
TL;DR: Alprenolol glucuronide (CAS 54587-50-7) is a chemical compound with molecular formula C21H31NO8 and molecular weight 425.20 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-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Alprenolol glucuronide, (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl]oxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, 1-(((1-methylethyl)amino)methyl)-2-(2-(2-propenyl)phenoxy)ethyl, 1-[(Propan-2-yl)amino]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-yl hexopyranosiduronic acid, 1-[(Propan-2-yl)amino]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-yl beta-D-glucopyranosiduronic acid
| Molecular Formula | C21H31NO8 |
|---|---|
| Molecular Weight | 425.20 g/mol |
| LogP | 0.0693 |
| Topological Polar Surface Area | 137.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 425.20496 |
| Heavy Atoms | 30 |
| Complexity | 697.33887 |
Chemical Identifiers
| CAS Number | 54587-50-7 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC=C1CC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
Product Overview
Alprenolol glucuronide (CAS 54587-50-7), with molecular formula C21H31NO8 and molecular weight 425.20 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Alprenolol glucuronide
Property Insights of Alprenolol glucuronide
The XLogP value of 0.0693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alprenolol glucuronide. The TPSA of 137.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Alprenolol glucuronide. Following Lipinski's Rule of Five, Alprenolol glucuronide has 5 hydrogen bond donor(s) and 8 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 Alprenolol glucuronide?
The CAS number of Alprenolol glucuronide is 54587-50-7.
What is the molecular formula of Alprenolol glucuronide?
The molecular formula of Alprenolol glucuronide is C21H31NO8.
What is the molecular weight of Alprenolol glucuronide?
The molecular weight of Alprenolol glucuronide is 425.20 g/mol.
Where can I buy Alprenolol glucuronide?
You can request a quote for Alprenolol glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alprenolol glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Alprenolol glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.