Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-
TL;DR: Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)- (CAS 2058-53-9) is a chemical compound with molecular formula C18H19N3O and molecular weight 293.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
Also Known As: Dibenzothiazepine, DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-, 6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine, 11-(4-Methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine, 11-(4-Methyl-1-piperazinyl)dibenz[b,f][1,4]oxazepine
| Molecular Formula | C18H19N3O |
|---|---|
| Molecular Weight | 293.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 28.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.1528 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 2058-53-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42 |
| InChIKey | DHRIRNHMKXDGPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)- (CAS 2058-53-9), with molecular formula C18H19N3O and molecular weight 293.15 g/mol. IUPAC: 6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine.
Chemical Property Profile of Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-
Property Insights of Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-. With a topological polar surface area (TPSA) of 28.1 Ų, Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)- has 0 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 Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-?
The CAS number of Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)- is 2058-53-9.
What is the molecular formula of Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-?
The molecular formula of Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)- is C18H19N3O.
What is the molecular weight of Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-?
The molecular weight of Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)- is 293.15 g/mol.
Where can I buy Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-?
You can request a quote for Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.