N-Benzoylnormethylecgonine
TL;DR: N-Benzoylnormethylecgonine (CAS 17366-44-8) is a chemical compound with molecular formula C16H19NO4 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R)-8-benzoyl-3-hydroxy-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: N-Benzoylnormethylecgonine, N-Benzoylnorecgoninmethylester, Methyl 8-benzoyl-3-hydroxy-8-azabicyclo(3.2.1)octane-2-carboxylate, methyl (5R)-8-benzoyl-3-hydroxy-8-azabicyclo[3.2.1]octane-4-carboxylate, METHYL (1R)-8-BENZOYL-3-HYDROXY-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE
| Molecular Formula | C16H19NO4 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 1.2136 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.1314 |
| Heavy Atoms | 21 |
| Complexity | 544.4678 |
Chemical Identifiers
| CAS Number | 17366-44-8 |
|---|---|
| SMILES | COC(=O)C1[C@H]2CCC(N2C(=O)C3=CC=CC=C3)CC1O |
Product Overview
N-Benzoylnormethylecgonine (CAS 17366-44-8), with molecular formula C16H19NO4 and molecular weight 289.13 g/mol. IUPAC: methyl (1R)-8-benzoyl-3-hydroxy-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of N-Benzoylnormethylecgonine
Property Insights of N-Benzoylnormethylecgonine
The XLogP value of 1.2136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzoylnormethylecgonine. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzoylnormethylecgonine. Following Lipinski's Rule of Five, N-Benzoylnormethylecgonine has 1 hydrogen bond donor(s) and 4 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-Benzoylnormethylecgonine?
The CAS number of N-Benzoylnormethylecgonine is 17366-44-8.
What is the molecular formula of N-Benzoylnormethylecgonine?
The molecular formula of N-Benzoylnormethylecgonine is C16H19NO4.
What is the molecular weight of N-Benzoylnormethylecgonine?
The molecular weight of N-Benzoylnormethylecgonine is 289.13 g/mol.
Where can I buy N-Benzoylnormethylecgonine?
You can request a quote for N-Benzoylnormethylecgonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzoylnormethylecgonine?
Yes, KEHONG BIO provides custom synthesis services for N-Benzoylnormethylecgonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.