1,5-Benzothiazepin-4(5H)-one
TL;DR: 1,5-Benzothiazepin-4(5H)-one (CAS 73087-48-6) is a chemical compound with molecular formula C9H7NOS and molecular weight 177.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5H-1,5-benzothiazepin-4-one
Also Known As: 1,5-Benzothiazepin-4(5H)-one, 5H-1,5-benzothiazepin-4-one
| Molecular Formula | C9H7NOS |
|---|---|
| Molecular Weight | 177.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.02484 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 73087-48-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C=CS2 |
| InChIKey | PPQXADXGECUTFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Benzothiazepin-4(5H)-one (CAS 73087-48-6), with molecular formula C9H7NOS and molecular weight 177.02 g/mol. IUPAC: 5H-1,5-benzothiazepin-4-one.
Chemical Property Profile of 1,5-Benzothiazepin-4(5H)-one
Property Insights of 1,5-Benzothiazepin-4(5H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Benzothiazepin-4(5H)-one. With a topological polar surface area (TPSA) of 54.4 Ų, 1,5-Benzothiazepin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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
Frequently Asked Questions
What is the CAS number of 1,5-Benzothiazepin-4(5H)-one?
The CAS number of 1,5-Benzothiazepin-4(5H)-one is 73087-48-6.
What is the molecular formula of 1,5-Benzothiazepin-4(5H)-one?
The molecular formula of 1,5-Benzothiazepin-4(5H)-one is C9H7NOS.
What is the molecular weight of 1,5-Benzothiazepin-4(5H)-one?
The molecular weight of 1,5-Benzothiazepin-4(5H)-one is 177.02 g/mol.
Where can I buy 1,5-Benzothiazepin-4(5H)-one?
You can request a quote for 1,5-Benzothiazepin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Benzothiazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Benzothiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.