Dibenzothiazepinone
TL;DR: Dibenzothiazepinone (CAS 3167-07-5) is a chemical compound with molecular formula C13H9NOS and molecular weight 227.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5H-benzo[b][1,4]benzothiazepin-6-one
Also Known As: 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine, dibenzothiazepinone, Dibenzo[b,f][1,4]thiazepin-11(10H)-one, Quetiapine EP Impurity G, zlchem 366
| Molecular Formula | C13H9NOS |
|---|---|
| Molecular Weight | 227.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.04048 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 3167-07-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3S2 |
| InChIKey | RTERDTBXBYNZIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzothiazepinone (CAS 3167-07-5), with molecular formula C13H9NOS and molecular weight 227.04 g/mol. IUPAC: 5H-benzo[b][1,4]benzothiazepin-6-one.
Chemical Property Profile of Dibenzothiazepinone
Property Insights of Dibenzothiazepinone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzothiazepinone. With a topological polar surface area (TPSA) of 54.4 Ų, Dibenzothiazepinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzothiazepinone has 1 hydrogen bond donor(s) and 2 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 Dibenzothiazepinone?
The CAS number of Dibenzothiazepinone is 3167-07-5.
What is the molecular formula of Dibenzothiazepinone?
The molecular formula of Dibenzothiazepinone is C13H9NOS.
What is the molecular weight of Dibenzothiazepinone?
The molecular weight of Dibenzothiazepinone is 227.04 g/mol.
Where can I buy Dibenzothiazepinone?
You can request a quote for Dibenzothiazepinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzothiazepinone?
Yes, KEHONG BIO provides custom synthesis services for Dibenzothiazepinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.