Aponorhyoscine
TL;DR: Aponorhyoscine (CAS 25650-56-0) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2-phenylprop-2-enoate
Also Known As: Aponorhyoscine, Aposiopolamine, Atropine Impurity 57, 3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2-phenylprop-2-enoate, 3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2-phenylacrylate
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 1.5132 |
| Topological Polar Surface Area | 50.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 540.1002 |
Chemical Identifiers
| CAS Number | 25650-56-0 |
|---|---|
| SMILES | C=C(C1=CC=CC=C1)C(=O)OC2CC3C4C(O4)C(C2)N3 |
Product Overview
Aponorhyoscine (CAS 25650-56-0), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2-phenylprop-2-enoate.
Chemical Property Profile of Aponorhyoscine
Property Insights of Aponorhyoscine
The XLogP value of 1.5132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aponorhyoscine. With a topological polar surface area (TPSA) of 50.86 Ų, Aponorhyoscine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aponorhyoscine 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 Aponorhyoscine?
The CAS number of Aponorhyoscine is 25650-56-0.
What is the molecular formula of Aponorhyoscine?
The molecular formula of Aponorhyoscine is C16H17NO3.
What is the molecular weight of Aponorhyoscine?
The molecular weight of Aponorhyoscine is 271.12 g/mol.
Where can I buy Aponorhyoscine?
You can request a quote for Aponorhyoscine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aponorhyoscine?
Yes, KEHONG BIO provides custom synthesis services for Aponorhyoscine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.