Isomethadone ketimine
TL;DR: Isomethadone ketimine (CAS 14474-54-5) is a chemical compound with molecular formula C21H28N2 and molecular weight 308.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-imino-N,N,2-trimethyl-3,3-diphenylhexan-1-amine
Also Known As: Isomethadone ketimine, Iso Methadone, Iso Methadone Ketimine, Methadone EP Impurity A, Isomethadone ketimine, (+/-)-
| Molecular Formula | C21H28N2 |
|---|---|
| Molecular Weight | 308.23 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 27.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.22525 |
| Heavy Atoms | 23 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 14474-54-5 |
|---|---|
| SMILES | CCC(=N)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C |
| InChIKey | PGAKPLYJBQKVSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isomethadone ketimine (CAS 14474-54-5), with molecular formula C21H28N2 and molecular weight 308.23 g/mol. IUPAC: 4-imino-N,N,2-trimethyl-3,3-diphenylhexan-1-amine.
Chemical Property Profile of Isomethadone ketimine
Property Insights of Isomethadone ketimine
The XLogP value of 4.5 indicates that Isomethadone ketimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.1 Ų, Isomethadone ketimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomethadone ketimine has 1 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 Isomethadone ketimine?
The CAS number of Isomethadone ketimine is 14474-54-5.
What is the molecular formula of Isomethadone ketimine?
The molecular formula of Isomethadone ketimine is C21H28N2.
What is the molecular weight of Isomethadone ketimine?
The molecular weight of Isomethadone ketimine is 308.23 g/mol.
Where can I buy Isomethadone ketimine?
You can request a quote for Isomethadone ketimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomethadone ketimine?
Yes, KEHONG BIO provides custom synthesis services for Isomethadone ketimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.