Phyllalbine
TL;DR: Phyllalbine (CAS 4540-25-4) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 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]octan-3-yl) 4-hydroxy-3-methoxybenzoate
Also Known As: Phyllalbine, Fillalbin, O-Vanilloyl-tropin, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-hydroxy-3-methoxybenzoate
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 4540-25-4 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CC(=C(C=C3)O)OC |
| InChIKey | OZKTVDIYALBSMA-UHFFFAOYSA-N |
Product Overview
Phyllalbine (CAS 4540-25-4), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate.
Chemical Property Profile of Phyllalbine
Property Insights of Phyllalbine
The XLogP value of 3.0 indicates that Phyllalbine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Phyllalbine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phyllalbine has 1 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 Phyllalbine?
The CAS number of Phyllalbine is 4540-25-4.
What is the molecular formula of Phyllalbine?
The molecular formula of Phyllalbine is C16H21NO4.
What is the molecular weight of Phyllalbine?
The molecular weight of Phyllalbine is 291.15 g/mol.
Where can I buy Phyllalbine?
You can request a quote for Phyllalbine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phyllalbine?
Yes, KEHONG BIO provides custom synthesis services for Phyllalbine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.