2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
TL;DR: 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one (CAS 119873-04-0) is a chemical compound with molecular formula C15H13NOS and molecular weight 255.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Also Known As: 2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, ALLOXANTETRAHYDRATE, Maybridge3_004360, 2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one, XIJZRXDBTDOULF-UHFFFAOYSA-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H13NOS |
| Molecular Weight | 255.0718 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.0718 Da |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
| SMILES | C1C(SC2=CC=CC=C2NC1=O)C3=CC=CC=C3 |
| InChIKey | XIJZRXDBTDOULF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
Property Insights of 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-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-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one?
The CAS number of 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one is 119873-04-0.
What is the molecular formula of 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one?
The molecular formula of 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one is C15H13NOS.
What is the molecular weight of 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one?
The molecular weight of 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one is 255.0718 g/mol.
Where can I buy 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one?
You can request a quote for 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one?
Yes, CoreyChem provides custom synthesis services for 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.