Isoclozapine
TL;DR: Isoclozapine (CAS 1977-08-8) is a chemical compound with molecular formula C18H19ClN4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Also Known As: ISOCLOZAPINE, 2-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine, SID:134224341, 5-25-11-00364 (Beilstein Handbook Reference), 8-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
| Molecular Formula | C18H19ClN4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.12982 |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 1977-08-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=C2C=C(C=C4)Cl |
| InChIKey | APOMSSAGEAOUGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoclozapine (CAS 1977-08-8), with molecular formula C18H19ClN4 and molecular weight 326.13 g/mol. IUPAC: 8-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine.
Chemical Property Profile of Isoclozapine
Property Insights of Isoclozapine
The XLogP value of 3.1 indicates that Isoclozapine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.9 Ų, Isoclozapine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoclozapine has 1 hydrogen bond donor(s) and 3 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 Isoclozapine?
The CAS number of Isoclozapine is 1977-08-8.
What is the molecular formula of Isoclozapine?
The molecular formula of Isoclozapine is C18H19ClN4.
What is the molecular weight of Isoclozapine?
The molecular weight of Isoclozapine is 326.13 g/mol.
Where can I buy Isoclozapine?
You can request a quote for Isoclozapine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoclozapine?
Yes, KEHONG BIO provides custom synthesis services for Isoclozapine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.