2-Phenyl-1,5-benzothiazepin-4-one
TL;DR: 2-Phenyl-1,5-benzothiazepin-4-one (CAS 5667-03-8) is a chemical compound with molecular formula C15H11NOS and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-5H-1,5-benzothiazepin-4-one
Also Known As: 2-Phenyl-1,5-benzothiazepin-4(5H)-one, 1, 2-phenyl-, 1,5-Benzothiazepin-4(5H)-one, 2-phenyl-, 2-phenyl-5H-1,5-benzothiazepin-4-one, 2-Phenyl-1,5-benzothiazepin-4-one
| Molecular Formula | C15H11NOS |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.05614 |
| Heavy Atoms | 18 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 5667-03-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)NC3=CC=CC=C3S2 |
| InChIKey | DWHHMNUHVCUPMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-1,5-benzothiazepin-4-one (CAS 5667-03-8), with molecular formula C15H11NOS and molecular weight 253.06 g/mol. IUPAC: 2-phenyl-5H-1,5-benzothiazepin-4-one.
Chemical Property Profile of 2-Phenyl-1,5-benzothiazepin-4-one
Property Insights of 2-Phenyl-1,5-benzothiazepin-4-one
The XLogP value of 3.1 indicates that 2-Phenyl-1,5-benzothiazepin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Phenyl-1,5-benzothiazepin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-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
Frequently Asked Questions
What is the CAS number of 2-Phenyl-1,5-benzothiazepin-4-one?
The CAS number of 2-Phenyl-1,5-benzothiazepin-4-one is 5667-03-8.
What is the molecular formula of 2-Phenyl-1,5-benzothiazepin-4-one?
The molecular formula of 2-Phenyl-1,5-benzothiazepin-4-one is C15H11NOS.
What is the molecular weight of 2-Phenyl-1,5-benzothiazepin-4-one?
The molecular weight of 2-Phenyl-1,5-benzothiazepin-4-one is 253.06 g/mol.
Where can I buy 2-Phenyl-1,5-benzothiazepin-4-one?
You can request a quote for 2-Phenyl-1,5-benzothiazepin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1,5-benzothiazepin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1,5-benzothiazepin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.