Cocaine hydrochloride mixture with menthol and phenol
TL;DR: Cocaine hydrochloride mixture with menthol and phenol (CAS 8053-92-7) is a chemical compound with molecular formula C33H48ClNO6 and molecular weight 589.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol;phenol;hydrochloride
Also Known As: Bonain's liquid, Bonains liquid, Cocaine HCl mixture with menthol and phenol, Cocaine hydrochloride mixture with menthol and phenol, 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride, (1R-(exo,exo))-, mixt. with (1alpha,2beta,5alpha)-5-methyl-2-(1-methylethyl)cyclohexanol and phenol
| Molecular Formula | C33H48ClNO6 |
|---|---|
| Molecular Weight | 589.32 g/mol |
| LogP | 6.1212 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 589.317 |
| Heavy Atoms | 41 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 8053-92-7 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C.CN1[C@@H]2CCC1CC(C2C(=O)OC)OC(=O)C3=CC=CC=C3.C1=CC=C(C=C1)O.Cl |
| InChIKey | BNZYOCHPQXYFEE-PKXMYSIYSA-N |
Product Overview
Cocaine hydrochloride mixture with menthol and phenol (CAS 8053-92-7), with molecular formula C33H48ClNO6 and molecular weight 589.32 g/mol. IUPAC: methyl (1R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol;phenol;hydrochloride.
Chemical Property Profile of Cocaine hydrochloride mixture with menthol and phenol
Property Insights of Cocaine hydrochloride mixture with menthol and phenol
The XLogP value of 6.1212 indicates that Cocaine hydrochloride mixture with menthol and phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Cocaine hydrochloride mixture with menthol and phenol. Following Lipinski's Rule of Five, Cocaine hydrochloride mixture with menthol and phenol has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cocaine hydrochloride mixture with menthol and phenol?
The CAS number of Cocaine hydrochloride mixture with menthol and phenol is 8053-92-7.
What is the molecular formula of Cocaine hydrochloride mixture with menthol and phenol?
The molecular formula of Cocaine hydrochloride mixture with menthol and phenol is C33H48ClNO6.
What is the molecular weight of Cocaine hydrochloride mixture with menthol and phenol?
The molecular weight of Cocaine hydrochloride mixture with menthol and phenol is 589.32 g/mol.
Where can I buy Cocaine hydrochloride mixture with menthol and phenol?
You can request a quote for Cocaine hydrochloride mixture with menthol and phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cocaine hydrochloride mixture with menthol and phenol?
Yes, KEHONG BIO provides custom synthesis services for Cocaine hydrochloride mixture with menthol and phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.