N-Cyclopropylmethylnorcocaine HCl
TL;DR: N-Cyclopropylmethylnorcocaine HCl (CAS 69568-34-9) is a chemical compound with molecular formula C20H26ClNO4 and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R)-3-benzoyloxy-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Also Known As: N-Cyclopropylmethylnorcocaine HCl, N-Cyclopropylmethylnorcocaine hydrochloride, 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-(cyclopropylmethyl)-, methyl ester, hydrochloride, (1R-(exo,exo))-, Methyl (1R)-3-(benzoyloxy)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate--hydrogen chloride (1/1), methyl (5R)-3-benzoyloxy-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate hydrochloride
| Molecular Formula | C20H26ClNO4 |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 3.0697 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.15503 |
| Heavy Atoms | 26 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 69568-34-9 |
|---|---|
| SMILES | COC(=O)C1[C@H]2CCC(N2CC3CC3)CC1OC(=O)C4=CC=CC=C4.Cl |
| InChIKey | PUKLUNYWXORGOD-QAMKVTCZSA-N |
Product Overview
N-Cyclopropylmethylnorcocaine HCl (CAS 69568-34-9), with molecular formula C20H26ClNO4 and molecular weight 379.16 g/mol. IUPAC: methyl (1R)-3-benzoyloxy-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride.
Chemical Property Profile of N-Cyclopropylmethylnorcocaine HCl
Property Insights of N-Cyclopropylmethylnorcocaine HCl
The XLogP value of 3.0697 indicates that N-Cyclopropylmethylnorcocaine HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, N-Cyclopropylmethylnorcocaine HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Cyclopropylmethylnorcocaine HCl 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-Cyclopropylmethylnorcocaine HCl?
The CAS number of N-Cyclopropylmethylnorcocaine HCl is 69568-34-9.
What is the molecular formula of N-Cyclopropylmethylnorcocaine HCl?
The molecular formula of N-Cyclopropylmethylnorcocaine HCl is C20H26ClNO4.
What is the molecular weight of N-Cyclopropylmethylnorcocaine HCl?
The molecular weight of N-Cyclopropylmethylnorcocaine HCl is 379.16 g/mol.
Where can I buy N-Cyclopropylmethylnorcocaine HCl?
You can request a quote for N-Cyclopropylmethylnorcocaine HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyclopropylmethylnorcocaine HCl?
Yes, KEHONG BIO provides custom synthesis services for N-Cyclopropylmethylnorcocaine HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.