Isomethadone hydrochloride
TL;DR: Isomethadone hydrochloride (CAS 5341-49-1) is a chemical compound with molecular formula C21H28ClNO and molecular weight 345.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;hydrochloride
Also Known As: Isomethadone hydrochloride, Isomethadone, Phenylmercury nitrate, Isoamidone Hydrochloride, Isomethadone-hydrochloride
| Molecular Formula | C21H28ClNO |
|---|---|
| Molecular Weight | 345.19 g/mol |
| LogP | 4.57 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.18594 |
| Heavy Atoms | 24 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 5341-49-1 |
|---|---|
| SMILES | CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.Cl |
| InChIKey | ZLZWUOKDFLNZFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isomethadone hydrochloride (CAS 5341-49-1), with molecular formula C21H28ClNO and molecular weight 345.19 g/mol. IUPAC: 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;hydrochloride.
Chemical Property Profile of Isomethadone hydrochloride
Property Insights of Isomethadone hydrochloride
The XLogP value of 4.57 indicates that Isomethadone hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.5 Ų, Isomethadone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomethadone hydrochloride 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 hydrochloride?
The CAS number of Isomethadone hydrochloride is 5341-49-1.
What is the molecular formula of Isomethadone hydrochloride?
The molecular formula of Isomethadone hydrochloride is C21H28ClNO.
What is the molecular weight of Isomethadone hydrochloride?
The molecular weight of Isomethadone hydrochloride is 345.19 g/mol.
Where can I buy Isomethadone hydrochloride?
You can request a quote for Isomethadone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomethadone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isomethadone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.