Propranolol glucuronide
TL;DR: Propranolol glucuronide (CAS 66322-66-5) is a chemical compound with molecular formula C22H29NO8 and molecular weight 435.19 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-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Propranolol glucuronide, Sporidesmolide I, Propranolol-glucuronide, Propranolol-2-O-b-D-glucuronide, KST-1B7381
| Molecular Formula | C22H29NO8 |
|---|---|
| Molecular Weight | 435.19 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 435.18933 |
| Heavy Atoms | 31 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 66322-66-5 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | PCALHJGQCKATMK-PLEVBHNASA-N |
Product Overview
Propranolol glucuronide (CAS 66322-66-5), with molecular formula C22H29NO8 and molecular weight 435.19 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Propranolol glucuronide
Property Insights of Propranolol glucuronide
The XLogP value of -0.7 indicates that Propranolol glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propranolol glucuronide. Following Lipinski's Rule of Five, Propranolol glucuronide has 5 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 Propranolol glucuronide?
The CAS number of Propranolol glucuronide is 66322-66-5.
What is the molecular formula of Propranolol glucuronide?
The molecular formula of Propranolol glucuronide is C22H29NO8.
What is the molecular weight of Propranolol glucuronide?
The molecular weight of Propranolol glucuronide is 435.19 g/mol.
Where can I buy Propranolol glucuronide?
You can request a quote for Propranolol glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propranolol glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Propranolol glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.