Isomethadol
TL;DR: Isomethadol (CAS 25117-79-7) is a chemical compound with molecular formula C21H29NO and molecular weight 311.22 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-ol
Also Known As: Isomethadol, Isomethadol [MI], (3R,5S)-Isomethadol, alpha-Isomethadol, (-)-, Isomethadol alpha-L-form [MI]
| Molecular Formula | C21H29NO |
|---|---|
| Molecular Weight | 311.22 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.2249 |
| Heavy Atoms | 23 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 25117-79-7 |
|---|---|
| SMILES | CCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C)O |
| InChIKey | UKKMLFPHCPRNJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isomethadol (CAS 25117-79-7), with molecular formula C21H29NO and molecular weight 311.22 g/mol. IUPAC: 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-ol.
Chemical Property Profile of Isomethadol
Property Insights of Isomethadol
The XLogP value of 4.8 indicates that Isomethadol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Isomethadol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomethadol 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 Isomethadol?
The CAS number of Isomethadol is 25117-79-7.
What is the molecular formula of Isomethadol?
The molecular formula of Isomethadol is C21H29NO.
What is the molecular weight of Isomethadol?
The molecular weight of Isomethadol is 311.22 g/mol.
Where can I buy Isomethadol?
You can request a quote for Isomethadol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomethadol?
Yes, KEHONG BIO provides custom synthesis services for Isomethadol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.