Isoaminile citrate
TL;DR: Isoaminile citrate (CAS 28272-18-6) is a chemical compound with molecular formula C22H32N2O7 and molecular weight 436.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Isoaminile citrate, Peracon, Perocan citrate, Perocan, Isoaminile
| Molecular Formula | C22H32N2O7 |
|---|---|
| Molecular Weight | 436.22 g/mol |
| LogP | 2.19568 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 436.22095 |
| Heavy Atoms | 31 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 28272-18-6 |
|---|---|
| SMILES | CC(C)C(CC(C)N(C)C)(C#N)C1=CC=CC=C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | ZXASMEUEMIIBDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoaminile citrate (CAS 28272-18-6), with molecular formula C22H32N2O7 and molecular weight 436.22 g/mol. IUPAC: 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Isoaminile citrate
Property Insights of Isoaminile citrate
The XLogP value of 2.19568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoaminile citrate. The TPSA of 159.0 Ų indicates high polarity, suggesting Isoaminile citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoaminile citrate has 4 hydrogen bond donor(s) and 9 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 Isoaminile citrate?
The CAS number of Isoaminile citrate is 28272-18-6.
What is the molecular formula of Isoaminile citrate?
The molecular formula of Isoaminile citrate is C22H32N2O7.
What is the molecular weight of Isoaminile citrate?
The molecular weight of Isoaminile citrate is 436.22 g/mol.
Where can I buy Isoaminile citrate?
You can request a quote for Isoaminile citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoaminile citrate?
Yes, KEHONG BIO provides custom synthesis services for Isoaminile citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.