4-Hydroxypropranolol glucuronide
TL;DR: 4-Hydroxypropranolol glucuronide (CAS 35143-94-3) is a chemical compound with molecular formula C22H29NO9 and molecular weight 451.18 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-(4-hydroxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: 4-Hopg, 4-Hydroxypropranolol glucuronide, 4-Hydroxypropranololglucuronide, p-Hydroxypropranolol glucuronide, KST-1B3449
| Molecular Formula | C22H29NO9 |
|---|---|
| Molecular Weight | 451.18 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.18423 |
| Heavy Atoms | 32 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 35143-94-3 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | BAKXCGCWLWKBFW-MBOKBCRSSA-N |
Product Overview
4-Hydroxypropranolol glucuronide (CAS 35143-94-3), with molecular formula C22H29NO9 and molecular weight 451.18 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(4-hydroxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of 4-Hydroxypropranolol glucuronide
Property Insights of 4-Hydroxypropranolol glucuronide
The XLogP value of -1.1 indicates that 4-Hydroxypropranolol glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting 4-Hydroxypropranolol glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Hydroxypropranolol glucuronide has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Hydroxypropranolol glucuronide?
The CAS number of 4-Hydroxypropranolol glucuronide is 35143-94-3.
What is the molecular formula of 4-Hydroxypropranolol glucuronide?
The molecular formula of 4-Hydroxypropranolol glucuronide is C22H29NO9.
What is the molecular weight of 4-Hydroxypropranolol glucuronide?
The molecular weight of 4-Hydroxypropranolol glucuronide is 451.18 g/mol.
Where can I buy 4-Hydroxypropranolol glucuronide?
You can request a quote for 4-Hydroxypropranolol glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxypropranolol glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxypropranolol glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.