Isoaminile
TL;DR: Isoaminile (CAS 77-51-0) is a chemical compound with molecular formula C16H24N2 and molecular weight 244.19 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
Also Known As: Isoaminile, Aprecon, Isoaminil, Nullatuss, Isoaminilo
| Molecular Formula | C16H24N2 |
|---|---|
| Molecular Weight | 244.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.19395 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 77-51-0 |
|---|---|
| SMILES | CC(C)C(CC(C)N(C)C)(C#N)C1=CC=CC=C1 |
| InChIKey | WFLSCFISQHLEED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoaminile (CAS 77-51-0), with molecular formula C16H24N2 and molecular weight 244.19 g/mol. IUPAC: 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile.
Chemical Property Profile of Isoaminile
Property Insights of Isoaminile
The XLogP value of 3.6 indicates that Isoaminile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, Isoaminile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoaminile has 0 hydrogen bond donor(s) and 2 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?
The CAS number of Isoaminile is 77-51-0.
What is the molecular formula of Isoaminile?
The molecular formula of Isoaminile is C16H24N2.
What is the molecular weight of Isoaminile?
The molecular weight of Isoaminile is 244.19 g/mol.
Where can I buy Isoaminile?
You can request a quote for Isoaminile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoaminile?
Yes, KEHONG BIO provides custom synthesis services for Isoaminile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.