Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)-
TL;DR: Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)- (CAS 1977-09-9) is a chemical compound with molecular formula C18H19N3S and molecular weight 309.13 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]benzothiazepine
Also Known As: Quetiapine Impurity 8, Quetiapine DBTP N-Methyl Impurity, 11-(4-Methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, 6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine, DIBENZO(b,f)(1,4)THIAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-
| Molecular Formula | C18H19N3S |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.12997 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 1977-09-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42 |
| InChIKey | SFMINLHQDVFHIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)- (CAS 1977-09-9), with molecular formula C18H19N3S and molecular weight 309.13 g/mol. IUPAC: 6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine.
Chemical Property Profile of Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)-
Property Insights of Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)-
The XLogP value of 3.0 indicates that Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,f)(1,4)thiazepine, 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 Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)-?
The CAS number of Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)- is 1977-09-9.
What is the molecular formula of Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)-?
The molecular formula of Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)- is C18H19N3S.
What is the molecular weight of Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)-?
The molecular weight of Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)- is 309.13 g/mol.
Where can I buy Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)-?
You can request a quote for Dibenzo(b,f)(1,4)thiazepine, 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 Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.