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8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
TL;DR: 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate (CAS 16839-98-8) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
Also Known As: Noratropine, Norhyoscyamine, N-Demethylatropine, N-Deme thylatropine, Atropine Impurity 33
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 16839-98-8 |
|---|---|
| SMILES | C1CC2CC(CC1N2)OC(=O)C(CO)C3=CC=CC=C3 |
| InChIKey | ATKYNAZQGVYHIB-UHFFFAOYSA-N |
Product Overview
8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate (CAS 16839-98-8), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: 8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
Property Insights of 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate. With a topological polar surface area (TPSA) of 58.6 Ų, 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate has 2 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 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate?
The CAS number of 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate is 16839-98-8.
What is the molecular formula of 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate?
The molecular formula of 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate is C16H21NO3.
What is the molecular weight of 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate?
The molecular weight of 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate is 275.15 g/mol.
Where can I buy 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate?
You can request a quote for 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.