N-Allylnorcocaine hydrochloride
TL;DR: N-Allylnorcocaine hydrochloride (CAS 69610-27-1) is a chemical compound with molecular formula C19H24ClNO4 and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R)-3-benzoyloxy-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Also Known As: N-Allylnorcocaine hydrochloride, methyl (1R)-3-benzoyloxy-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride, 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-(2-propenyl)-, methyl ester, hydrochloride, (1R-(exo,exo))-, Methyl (1R)-3-(benzoyloxy)-8-(prop-2-en-1-yl)-8-azabicyclo[3.2.1]octane-2-carboxylate--hydrogen chloride (1/1), methyl (5R)-3-benzoyloxy-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-4-carboxylate hydrochloride
| Molecular Formula | C19H24ClNO4 |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 2.8457 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.13937 |
| Heavy Atoms | 25 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 69610-27-1 |
|---|---|
| SMILES | COC(=O)C1[C@H]2CCC(N2CC=C)CC1OC(=O)C3=CC=CC=C3.Cl |
| InChIKey | SMKTZQCLCMCHPR-DQFZGLBTSA-N |
Product Overview
N-Allylnorcocaine hydrochloride (CAS 69610-27-1), with molecular formula C19H24ClNO4 and molecular weight 365.14 g/mol. IUPAC: methyl (1R)-3-benzoyloxy-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride.
Chemical Property Profile of N-Allylnorcocaine hydrochloride
Property Insights of N-Allylnorcocaine hydrochloride
The XLogP value of 2.8457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Allylnorcocaine hydrochloride. With a topological polar surface area (TPSA) of 55.8 Ų, N-Allylnorcocaine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Allylnorcocaine 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 N-Allylnorcocaine hydrochloride?
The CAS number of N-Allylnorcocaine hydrochloride is 69610-27-1.
What is the molecular formula of N-Allylnorcocaine hydrochloride?
The molecular formula of N-Allylnorcocaine hydrochloride is C19H24ClNO4.
What is the molecular weight of N-Allylnorcocaine hydrochloride?
The molecular weight of N-Allylnorcocaine hydrochloride is 365.14 g/mol.
Where can I buy N-Allylnorcocaine hydrochloride?
You can request a quote for N-Allylnorcocaine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Allylnorcocaine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-Allylnorcocaine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.