Apohyoscine
TL;DR: Apohyoscine (CAS 535-26-2) is a chemical compound with molecular formula C17H19NO3 and molecular weight 285.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
Also Known As: Apohyoscine, Aposcopolamine, alpha-Methylenebenzeneacetic acid, [(2S,4R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate, 1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester)
| Molecular Formula | C17H19NO3 |
|---|---|
| Molecular Weight | 285.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.1365 |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 535-26-2 |
|---|---|
| SMILES | CN1C2CC(CC1[C@@H]3[C@H]2O3)OC(=O)C(=C)C4=CC=CC=C4 |
| InChIKey | JJNVDCBKBUSUII-SVFSVNPNSA-N |
Product Overview
Apohyoscine (CAS 535-26-2), with molecular formula C17H19NO3 and molecular weight 285.14 g/mol. IUPAC: [(2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate.
Chemical Property Profile of Apohyoscine
Property Insights of Apohyoscine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apohyoscine. With a topological polar surface area (TPSA) of 42.1 Ų, Apohyoscine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Apohyoscine has 0 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 Apohyoscine?
The CAS number of Apohyoscine is 535-26-2.
What is the molecular formula of Apohyoscine?
The molecular formula of Apohyoscine is C17H19NO3.
What is the molecular weight of Apohyoscine?
The molecular weight of Apohyoscine is 285.14 g/mol.
Where can I buy Apohyoscine?
You can request a quote for Apohyoscine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apohyoscine?
Yes, KEHONG BIO provides custom synthesis services for Apohyoscine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.