Dezocine glucuronide
TL;DR: Dezocine glucuronide (CAS 76948-31-7) is a chemical compound with molecular formula C22H31NO7 and molecular weight 421.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6S)-6-[[(9R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Dezocine glucuronide, (2R,3S,4S,5R,6S)-6-[[(9R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, 13-amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-5,11-methanobenzocyclodecen-3-yl, (5R-(5alpha,11alpha,13S*))-, (11R,13S)-13-Amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzo[10]annulen-3-yl alpha-L-idopyranosiduronic acid, 13-Amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzo[10]annulen-3-yl hexopyranosiduronic acid
| Molecular Formula | C22H31NO7 |
|---|---|
| Molecular Weight | 421.21 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.21005 |
| Heavy Atoms | 30 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 76948-31-7 |
|---|---|
| SMILES | CC12CCCCC[C@@H]([C@@H]1N)CC3=C2C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C(=O)O)O)O)O |
| InChIKey | OGFASZKCOLUFAW-LCZVVBTCSA-N |
Product Overview
Dezocine glucuronide (CAS 76948-31-7), with molecular formula C22H31NO7 and molecular weight 421.21 g/mol. IUPAC: (2R,3S,4S,5R,6S)-6-[[(9R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Dezocine glucuronide
Property Insights of Dezocine glucuronide
The XLogP value of -0.1 indicates that Dezocine glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting Dezocine glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dezocine 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 Dezocine glucuronide?
The CAS number of Dezocine glucuronide is 76948-31-7.
What is the molecular formula of Dezocine glucuronide?
The molecular formula of Dezocine glucuronide is C22H31NO7.
What is the molecular weight of Dezocine glucuronide?
The molecular weight of Dezocine glucuronide is 421.21 g/mol.
Where can I buy Dezocine glucuronide?
You can request a quote for Dezocine glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dezocine glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Dezocine glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.