Phencynonate
TL;DR: Phencynonate (CAS 256511-89-4) is a chemical compound with molecular formula C22H31NO3 and molecular weight 357.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Also Known As: Phencynonate, Bencynonate, alpha-bencynonatine, .alpha.-bencynonatine, BRD-A64698388-003-01-7
| Molecular Formula | C22H31NO3 |
|---|---|
| Molecular Weight | 357.23 g/mol |
| LogP | 3.3379 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.2304 |
| Heavy Atoms | 26 |
| Complexity | 613.53436 |
Chemical Identifiers
| CAS Number | 256511-89-4 |
|---|---|
| SMILES | CN1CC2CCCC(C1)C2OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O |
Product Overview
Phencynonate (CAS 256511-89-4), with molecular formula C22H31NO3 and molecular weight 357.23 g/mol. IUPAC: (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of Phencynonate
Property Insights of Phencynonate
The XLogP value of 3.3379 indicates that Phencynonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, Phencynonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phencynonate 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 Phencynonate?
The CAS number of Phencynonate is 256511-89-4.
What is the molecular formula of Phencynonate?
The molecular formula of Phencynonate is C22H31NO3.
What is the molecular weight of Phencynonate?
The molecular weight of Phencynonate is 357.23 g/mol.
Where can I buy Phencynonate?
You can request a quote for Phencynonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phencynonate?
Yes, KEHONG BIO provides custom synthesis services for Phencynonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.