![(8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate structure](/static/products/5472/54725-48-3.webp)
(8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate
TL;DR: (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate (CAS 54725-48-3) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate
Also Known As: 6,7-Dehydrohyoscyamine, Tiotropium Bromide Impurity 23, (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate, 8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl tropate, 8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl tropate #
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 54725-48-3 |
|---|---|
| SMILES | CN1C2CC(CC1C=C2)OC(=O)C(CO)C3=CC=CC=C3 |
| InChIKey | NZJZSPMNEYIORP-UHFFFAOYSA-N |
Product Overview
(8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate (CAS 54725-48-3), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate
Property Insights of (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate. With a topological polar surface area (TPSA) of 49.8 Ų, (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate 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 (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate?
The CAS number of (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate is 54725-48-3.
What is the molecular formula of (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate?
The molecular formula of (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate is C17H21NO3.
What is the molecular weight of (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate?
The molecular weight of (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate is 287.15 g/mol.
Where can I buy (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate?
You can request a quote for (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-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-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.