Epinephrine glucuronide
TL;DR: Epinephrine glucuronide (CAS 54964-61-3) is a chemical compound with molecular formula C15H21NO9 and molecular weight 359.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,6S)-3,4,5,5-tetrahydroxy-3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-phenoxyoxane-2-carboxylic acid
Also Known As: Epinephrine glucuronide, beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(1-hydroxy-2-(methylamino)ethyl)phenyl, (R)-, (2S,3S,4S,6S)-3,4,5,5-tetrahydroxy-3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-phenoxyoxane-2-carboxylic acid
| Molecular Formula | C15H21NO9 |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.12164 |
| Heavy Atoms | 25 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 54964-61-3 |
|---|---|
| SMILES | CNC[C@H]([C@]1([C@H](O[C@H](C([C@H]1O)(O)O)OC2=CC=CC=C2)C(=O)O)O)O |
| InChIKey | BQSRWNRFUSHYFP-IGJDLRFWSA-N |
Product Overview
Epinephrine glucuronide (CAS 54964-61-3), with molecular formula C15H21NO9 and molecular weight 359.12 g/mol. IUPAC: (2S,3S,4S,6S)-3,4,5,5-tetrahydroxy-3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-phenoxyoxane-2-carboxylic acid.
Chemical Property Profile of Epinephrine glucuronide
Property Insights of Epinephrine glucuronide
The XLogP value of -3.7 indicates that Epinephrine glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting Epinephrine glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epinephrine glucuronide has 7 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 Epinephrine glucuronide?
The CAS number of Epinephrine glucuronide is 54964-61-3.
What is the molecular formula of Epinephrine glucuronide?
The molecular formula of Epinephrine glucuronide is C15H21NO9.
What is the molecular weight of Epinephrine glucuronide?
The molecular weight of Epinephrine glucuronide is 359.12 g/mol.
Where can I buy Epinephrine glucuronide?
You can request a quote for Epinephrine glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epinephrine glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Epinephrine glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.