Phenactropinum
TL;DR: Phenactropinum (CAS 3784-89-2) is a chemical compound with molecular formula C24H28ClNO4 and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate chloride
Also Known As: Phenactropinum, PHENACTROPINIUM CHLORIDE, (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hyd, 3-{[Hydroxy(phenyl)acetyl]oxy}-8-methyl-8-(2-oxo-2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-ium chloride, (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate chloride
| Molecular Formula | C24H28ClNO4 |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 0.29 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.1707 |
| Heavy Atoms | 30 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 3784-89-2 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC(=O)C4=CC=CC=C4.[Cl-] |
| InChIKey | NMWOUJTUPILZRV-UHFFFAOYSA-M |
Product Overview
Phenactropinum (CAS 3784-89-2), with molecular formula C24H28ClNO4 and molecular weight 429.17 g/mol. IUPAC: (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of Phenactropinum
Property Insights of Phenactropinum
The XLogP value of 0.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenactropinum. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenactropinum. Following Lipinski's Rule of Five, Phenactropinum 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 Phenactropinum?
The CAS number of Phenactropinum is 3784-89-2.
What is the molecular formula of Phenactropinum?
The molecular formula of Phenactropinum is C24H28ClNO4.
What is the molecular weight of Phenactropinum?
The molecular weight of Phenactropinum is 429.17 g/mol.
Where can I buy Phenactropinum?
You can request a quote for Phenactropinum directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenactropinum?
Yes, KEHONG BIO provides custom synthesis services for Phenactropinum and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.