Myrtecaine citrate
TL;DR: Myrtecaine citrate (CAS 68342-79-0) is a chemical compound with molecular formula C23H39NO8 and molecular weight 457.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Myrtecaine citrate, Nopoxamine citrate, 2-(2-(6,6-Dimethyl-2-norpinen-2-yl)ethoxy)triethylamine citrate, 2-(2-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethoxy)-N,N-diethylaminoethane citrate, Triethylamine, 2-(2-(6,6-dimethyl-2-norpinen-2-yl)ethoxy)-, citrate
| Molecular Formula | C23H39NO8 |
|---|---|
| Molecular Weight | 457.27 g/mol |
| LogP | 2.4788 |
| Topological Polar Surface Area | 144.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 457.26758 |
| Heavy Atoms | 32 |
| Complexity | 667.4839 |
Chemical Identifiers
| CAS Number | 68342-79-0 |
|---|---|
| SMILES | CCN(CC)CCOCCC1=CCC2CC1C2(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Myrtecaine citrate (CAS 68342-79-0), with molecular formula C23H39NO8 and molecular weight 457.27 g/mol. IUPAC: 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Myrtecaine citrate
Property Insights of Myrtecaine citrate
The XLogP value of 2.4788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Myrtecaine citrate. The TPSA of 144.6 Ų indicates high polarity, suggesting Myrtecaine citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Myrtecaine citrate has 4 hydrogen bond donor(s) and 6 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 Myrtecaine citrate?
The CAS number of Myrtecaine citrate is 68342-79-0.
What is the molecular formula of Myrtecaine citrate?
The molecular formula of Myrtecaine citrate is C23H39NO8.
What is the molecular weight of Myrtecaine citrate?
The molecular weight of Myrtecaine citrate is 457.27 g/mol.
Where can I buy Myrtecaine citrate?
You can request a quote for Myrtecaine citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myrtecaine citrate?
Yes, KEHONG BIO provides custom synthesis services for Myrtecaine citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.