(125I)Fisch
TL;DR: (125I)Fisch (CAS 120685-95-2) is a chemical compound with molecular formula C17H17ClINO and molecular weight 413.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-5-(4-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Also Known As: (125I)Fisch, 1,3-Butadiene-1,4-diol,(E,E), 8-chloro-5-(4-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol, 7-Chloro-8-hydroxy-1-(4'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 7-chloro-8-hydroxy-1-(4/'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
| Molecular Formula | C17H17ClINO |
|---|---|
| Molecular Weight | 413.00 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 413.00433 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 120685-95-2 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2C(C1)C3=CC=C(C=C3)I)O)Cl |
| InChIKey | SFEBAZSWFKLMDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(125I)Fisch (CAS 120685-95-2), with molecular formula C17H17ClINO and molecular weight 413.00 g/mol. IUPAC: 8-chloro-5-(4-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
Chemical Property Profile of (125I)Fisch
Property Insights of (125I)Fisch
The XLogP value of 4.6 indicates that (125I)Fisch is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, (125I)Fisch exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (125I)Fisch 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 (125I)Fisch?
The CAS number of (125I)Fisch is 120685-95-2.
What is the molecular formula of (125I)Fisch?
The molecular formula of (125I)Fisch is C17H17ClINO.
What is the molecular weight of (125I)Fisch?
The molecular weight of (125I)Fisch is 413.00 g/mol.
Where can I buy (125I)Fisch?
You can request a quote for (125I)Fisch directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (125I)Fisch?
Yes, KEHONG BIO provides custom synthesis services for (125I)Fisch and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.