![5-Propylbenzo[b][1,4]benzothiazepin-6-one structure](/static/products/1358/135810-44-5.webp)
5-Propylbenzo[b][1,4]benzothiazepin-6-one
TL;DR: 5-Propylbenzo[b][1,4]benzothiazepin-6-one (CAS 135810-44-5) is a chemical compound with molecular formula C16H15NOS and molecular weight 269.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-propylbenzo[b][1,4]benzothiazepin-6-one
Also Known As: 10Pr-DBTA-11one, Dibenzoxazepinone 5, 5-propylbenzo[b][1,4]benzothiazepin-6-one, 10-Propyl-dibenz(b,f)(1,4)thiazepin-11-(10H)-one, 10-Propyldibenzo(b,f)(1,4)thiazepin-11(10H)-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H15NOS |
| Molecular Weight | 269.08743 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.08743 Da |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
| SMILES | CCCN1C2=CC=CC=C2SC3=CC=CC=C3C1=O |
| InChIKey | ARJSKRFEYLKXQL-UHFFFAOYSA-N |
Chemical Property Profile of 5-Propylbenzo[b][1,4]benzothiazepin-6-one
Property Insights of 5-Propylbenzo[b][1,4]benzothiazepin-6-one
The XLogP value of 4.0 indicates that 5-Propylbenzo[b][1,4]benzothiazepin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 5-Propylbenzo[b][1,4]benzothiazepin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Propylbenzo[b][1,4]benzothiazepin-6-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Propylbenzo[b][1,4]benzothiazepin-6-one?
The CAS number of 5-Propylbenzo[b][1,4]benzothiazepin-6-one is 135810-44-5.
What is the molecular formula of 5-Propylbenzo[b][1,4]benzothiazepin-6-one?
The molecular formula of 5-Propylbenzo[b][1,4]benzothiazepin-6-one is C16H15NOS.
What is the molecular weight of 5-Propylbenzo[b][1,4]benzothiazepin-6-one?
The molecular weight of 5-Propylbenzo[b][1,4]benzothiazepin-6-one is 269.08743 g/mol.
Where can I buy 5-Propylbenzo[b][1,4]benzothiazepin-6-one?
You can request a quote for 5-Propylbenzo[b][1,4]benzothiazepin-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Propylbenzo[b][1,4]benzothiazepin-6-one?
Yes, CoreyChem provides custom synthesis services for 5-Propylbenzo[b][1,4]benzothiazepin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.