2,3-Dihydro-1,5-benzothiazepin-4(5H)-one
TL;DR: 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one (CAS 53454-43-6) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dihydro-2H-1,5-benzothiazepin-4-one
Also Known As: 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one, 3,5-dihydro-2H-1,5-benzothiazepin-4-one, 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one, 1, 2,3-dihydro-, 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NOS |
| Molecular Weight | 179.04048 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.04048 Da |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| SMILES | C1CSC2=CC=CC=C2NC1=O |
| InChIKey | VNUDPFLTWOKTKQ-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one
Property Insights of 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one. With a topological polar surface area (TPSA) of 54.4 Ų, 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one 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
What is the CAS number of 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one?
The CAS number of 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one is 53454-43-6.
What is the molecular formula of 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular formula of 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one is C9H9NOS.
What is the molecular weight of 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular weight of 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one is 179.04048 g/mol.
Where can I buy 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one?
You can request a quote for 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one?
Yes, CoreyChem provides custom synthesis services for 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.