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Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate
TL;DR: Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate (CAS 61585-22-6) 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.
2-O-methyl 3-O-phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate
Also Known As: Norcocaine, 2-methyl 3-phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate, 4-O-methyl 3-O-phenyl 8-azabicyclo[3.2.1]octane-3,4-dicarboxylate, METHYL PHENYL 8-AZABICYCLO[3.2.1]OCTANE-2,3-DICARBOXYLATE, 1-alpha-H,5-alpha-H-Nortropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester)
| Molecular Formula | C16H19NO4 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.1314 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 61585-22-6 |
|---|---|
| SMILES | COC(=O)C1C2CCC(N2)CC1C(=O)OC3=CC=CC=C3 |
| InChIKey | RERBBBLSJAMJFJ-UHFFFAOYSA-N |
Product Overview
Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate (CAS 61585-22-6), with molecular formula C16H19NO4 and molecular weight 289.13 g/mol. IUPAC: 2-O-methyl 3-O-phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate.
Chemical Property Profile of Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate
Property Insights of Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate. Following Lipinski's Rule of Five, Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate 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 Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate?
The CAS number of Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate is 61585-22-6.
What is the molecular formula of Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate?
The molecular formula of Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate is C16H19NO4.
What is the molecular weight of Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate?
The molecular weight of Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate is 289.13 g/mol.
Where can I buy Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate?
You can request a quote for Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.