DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)-
TL;DR: DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)- (CAS 22000-66-4) is a chemical compound with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylpiperazin-1-yl)-8-methylsulfonylbenzo[b][1,4]benzoxazepine
Also Known As: DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)-, 11-(4-Methyl-1-piperazinyl)-2-(methylsulfonyl)dibenz(b,f)(1,4)oxazepine, Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-2-(methylsulfonyl), Dibenz(b,f)(1,4)oxazepine,11-(4-methyl-1-piperazinyl)-2-(methylsulfonyl), 11-(4-Methyl-1-piperazinyl)-2-(methylsulfonyl)dibenz[b,f][1,4]oxazepine
| Molecular Formula | C19H21N3O3S |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.13037 |
| Heavy Atoms | 26 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 22000-66-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)S(=O)(=O)C |
| InChIKey | QFOCNZMYTYHYNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)- (CAS 22000-66-4), with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol. IUPAC: 6-(4-methylpiperazin-1-yl)-8-methylsulfonylbenzo[b][1,4]benzoxazepine.
Chemical Property Profile of DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)-
Property Insights of DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)-. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)-. Following Lipinski's Rule of Five, DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)- has 0 hydrogen bond donor(s) and 5 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)-2-(METHYLSULFONYL)-?
The CAS number of DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)- is 22000-66-4.
What is the molecular formula of DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)-?
The molecular formula of DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)- is C19H21N3O3S.
What is the molecular weight of DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)-?
The molecular weight of DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)- is 371.13 g/mol.
Where can I buy DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)-?
You can request a quote for DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)- 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)-2-(METHYLSULFONYL)-?
Yes, KEHONG BIO provides custom synthesis services for DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.