Cocaine muriate
TL;DR: Cocaine muriate (CAS 6363-57-1) is a chemical compound with molecular formula C17H22ClNO4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Also Known As: Cocaine muriate, cocaine, Cocaine chloride, Cocaine HCl, Sal de merck
| Molecular Formula | C17H22ClNO4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 2.2895 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.12375 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 6363-57-1 |
|---|---|
| SMILES | CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl |
| InChIKey | PIQVDUKEQYOJNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cocaine muriate (CAS 6363-57-1), with molecular formula C17H22ClNO4 and molecular weight 339.12 g/mol. IUPAC: methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride.
Chemical Property Profile of Cocaine muriate
Property Insights of Cocaine muriate
The XLogP value of 2.2895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cocaine muriate. With a topological polar surface area (TPSA) of 55.8 Ų, Cocaine muriate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cocaine muriate has 1 hydrogen bond donor(s) and 5 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 Cocaine muriate?
The CAS number of Cocaine muriate is 6363-57-1.
What is the molecular formula of Cocaine muriate?
The molecular formula of Cocaine muriate is C17H22ClNO4.
What is the molecular weight of Cocaine muriate?
The molecular weight of Cocaine muriate is 339.12 g/mol.
Where can I buy Cocaine muriate?
You can request a quote for Cocaine muriate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cocaine muriate?
Yes, KEHONG BIO provides custom synthesis services for Cocaine muriate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.