(+)-2-alpha-Tropanyl chromone-2-carboxylate
TL;DR: (+)-2-alpha-Tropanyl chromone-2-carboxylate (CAS 87395-53-7) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 4-oxochromene-2-carboxylate
Also Known As: (+)-2-alpha-Tropanyl chromone-2-carboxylate, 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 4-oxo-4H-1-benzopyran-2-carboxylate (ester), (+)-, (1R)-8-Methyl-8-azabicyclo[3.2.1]octan-2-yl 4-oxo-4H-1-benzopyran-2-carboxylate, [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] 4-oxochromene-2-carboxylate, 8-Methyl-8-azabicyclo[3.2.1]octan-2-yl 4-oxo-4H-1-benzopyran-2-carboxylate
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 2.575 |
| Topological Polar Surface Area | 59.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 812.0189 |
Chemical Identifiers
| CAS Number | 87395-53-7 |
|---|---|
| SMILES | CN1[C@@H]2CCC1CCC2OC(=O)C3=CC(=O)C4=CC=CC=C4O3 |
Product Overview
(+)-2-alpha-Tropanyl chromone-2-carboxylate (CAS 87395-53-7), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: [(1R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 4-oxochromene-2-carboxylate.
Chemical Property Profile of (+)-2-alpha-Tropanyl chromone-2-carboxylate
Property Insights of (+)-2-alpha-Tropanyl chromone-2-carboxylate
The XLogP value of 2.575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-2-alpha-Tropanyl chromone-2-carboxylate. With a topological polar surface area (TPSA) of 59.75 Ų, (+)-2-alpha-Tropanyl chromone-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-2-alpha-Tropanyl chromone-2-carboxylate has 0 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 (+)-2-alpha-Tropanyl chromone-2-carboxylate?
The CAS number of (+)-2-alpha-Tropanyl chromone-2-carboxylate is 87395-53-7.
What is the molecular formula of (+)-2-alpha-Tropanyl chromone-2-carboxylate?
The molecular formula of (+)-2-alpha-Tropanyl chromone-2-carboxylate is C18H19NO4.
What is the molecular weight of (+)-2-alpha-Tropanyl chromone-2-carboxylate?
The molecular weight of (+)-2-alpha-Tropanyl chromone-2-carboxylate is 313.13 g/mol.
Where can I buy (+)-2-alpha-Tropanyl chromone-2-carboxylate?
You can request a quote for (+)-2-alpha-Tropanyl chromone-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-2-alpha-Tropanyl chromone-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (+)-2-alpha-Tropanyl chromone-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.