tocainide carbamoyl O-beta-glucuronide
TL;DR: tocainide carbamoyl O-beta-glucuronide (CAS 73025-66-8) is a chemical compound with molecular formula C18H24N2O9 and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]carbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Tocainide cbg, Tocainide carbamoyl O-beta-glucuronide, (2S,3S,4S,5R,6S)-6-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]carbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-6-[({1-[(2,6-dimethylphenyl)carbamoyl]ethyl}carbamoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, [[[1-[[(2,6-Dimethylphenyl)amino]carbonyl]ethyl]amino]carbonyl]beta-D-glucopyranosiduronic acid
| Molecular Formula | C18H24N2O9 |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1482 |
| Heavy Atoms | 29 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 73025-66-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C(C)NC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | CTSRGSCMTKRHQL-IDUZIPGESA-N |
Product Overview
tocainide carbamoyl O-beta-glucuronide (CAS 73025-66-8), with molecular formula C18H24N2O9 and molecular weight 412.15 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]carbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of tocainide carbamoyl O-beta-glucuronide
Property Insights of tocainide carbamoyl O-beta-glucuronide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tocainide carbamoyl O-beta-glucuronide. The TPSA of 175.0 Ų indicates high polarity, suggesting tocainide carbamoyl O-beta-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tocainide carbamoyl O-beta-glucuronide has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tocainide carbamoyl O-beta-glucuronide?
The CAS number of tocainide carbamoyl O-beta-glucuronide is 73025-66-8.
What is the molecular formula of tocainide carbamoyl O-beta-glucuronide?
The molecular formula of tocainide carbamoyl O-beta-glucuronide is C18H24N2O9.
What is the molecular weight of tocainide carbamoyl O-beta-glucuronide?
The molecular weight of tocainide carbamoyl O-beta-glucuronide is 412.15 g/mol.
Where can I buy tocainide carbamoyl O-beta-glucuronide?
You can request a quote for tocainide carbamoyl O-beta-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tocainide carbamoyl O-beta-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for tocainide carbamoyl O-beta-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.