5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride
TL;DR: 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride (CAS 23327-57-3) is a chemical compound with molecular formula C17H20ClNO and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride
Also Known As: Fenazoxine, Leoplexamin, Pallopikeron, Sinalgico, Lenipan
| Molecular Formula | C17H20ClNO |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | -1.18 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.12335 |
| Heavy Atoms | 20 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 23327-57-3 |
|---|---|
| SMILES | C[NH+]1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3.[Cl-] |
| InChIKey | CNNVSINJDJNHQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride (CAS 23327-57-3), with molecular formula C17H20ClNO and molecular weight 289.12 g/mol. IUPAC: 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride.
Chemical Property Profile of 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride
Property Insights of 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride
The XLogP value of -1.18 indicates that 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.7 Ų, 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride 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 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride?
The CAS number of 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride is 23327-57-3.
What is the molecular formula of 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride?
The molecular formula of 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride is C17H20ClNO.
What is the molecular weight of 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride?
The molecular weight of 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride is 289.12 g/mol.
Where can I buy 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride?
You can request a quote for 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.