Metaclazepam Hydrochloride
TL;DR: Metaclazepam Hydrochloride (CAS 61802-93-5) is a chemical compound with molecular formula C18H19BrCl2N2O and molecular weight 428.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine;hydrochloride
Also Known As: Talis, Metaclazepam hydrochloride, Metaclazepan HCl, metaclazepam HCl, Metaclazepan hydrochloride
| Molecular Formula | C18H19BrCl2N2O |
|---|---|
| Molecular Weight | 428.01 g/mol |
| LogP | 4.8265 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.00577 |
| Heavy Atoms | 24 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 61802-93-5 |
|---|---|
| SMILES | CN1C(CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl)COC.Cl |
| InChIKey | IDCVMXYQJUFZJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metaclazepam Hydrochloride (CAS 61802-93-5), with molecular formula C18H19BrCl2N2O and molecular weight 428.01 g/mol. IUPAC: 7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine;hydrochloride.
Chemical Property Profile of Metaclazepam Hydrochloride
Property Insights of Metaclazepam Hydrochloride
The XLogP value of 4.8265 indicates that Metaclazepam Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.8 Ų, Metaclazepam Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Metaclazepam Hydrochloride 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 Metaclazepam Hydrochloride?
The CAS number of Metaclazepam Hydrochloride is 61802-93-5.
What is the molecular formula of Metaclazepam Hydrochloride?
The molecular formula of Metaclazepam Hydrochloride is C18H19BrCl2N2O.
What is the molecular weight of Metaclazepam Hydrochloride?
The molecular weight of Metaclazepam Hydrochloride is 428.01 g/mol.
Where can I buy Metaclazepam Hydrochloride?
You can request a quote for Metaclazepam Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metaclazepam Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Metaclazepam Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.