(+)-Cocaine Hydrochloride
TL;DR: (+)-Cocaine Hydrochloride (CAS 113775-05-6) 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 (1S,2S,3R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Also Known As: cocaine, Cocaine muriate, Cocaine chloride, Sal de merck, Cocaine HCl
| 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 | 113775-05-6 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1[C@@H]([C@@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl |
| InChIKey | PIQVDUKEQYOJNR-KOVRDVONSA-N |
Product Overview
(+)-Cocaine Hydrochloride (CAS 113775-05-6), with molecular formula C17H22ClNO4 and molecular weight 339.12 g/mol. IUPAC: methyl (1S,2S,3R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride.
Chemical Property Profile of (+)-Cocaine Hydrochloride
Property Insights of (+)-Cocaine Hydrochloride
The XLogP value of 2.2895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Cocaine Hydrochloride. With a topological polar surface area (TPSA) of 55.8 Ų, (+)-Cocaine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Cocaine Hydrochloride 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 Hydrochloride?
The CAS number of (+)-Cocaine Hydrochloride is 113775-05-6.
What is the molecular formula of (+)-Cocaine Hydrochloride?
The molecular formula of (+)-Cocaine Hydrochloride is C17H22ClNO4.
What is the molecular weight of (+)-Cocaine Hydrochloride?
The molecular weight of (+)-Cocaine Hydrochloride is 339.12 g/mol.
Where can I buy (+)-Cocaine Hydrochloride?
You can request a quote for (+)-Cocaine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Cocaine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (+)-Cocaine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.