![2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one structure](/static/products/6764/676468-79-4.webp)
2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
TL;DR: 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one (CAS 676468-79-4) is a chemical compound with molecular formula C15H12FNOS and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluorophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Also Known As: J3.547.188J, 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one, 2-(2-fluorophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one, 2-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one, 2-(2-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-4(5H)-one
| Molecular Formula | C15H12FNOS |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 4.0013 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.06238 |
| Heavy Atoms | 19 |
| Complexity | 629.04755 |
Chemical Identifiers
| CAS Number | 676468-79-4 |
|---|---|
| SMILES | C1C(SC2=CC=CC=C2NC1=O)C3=CC=CC=C3F |
Product Overview
2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one (CAS 676468-79-4), with molecular formula C15H12FNOS and molecular weight 273.06 g/mol. IUPAC: 2-(2-fluorophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
Chemical Property Profile of 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
Property Insights of 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
The XLogP value of 4.0013 indicates that 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-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 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one?
The CAS number of 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one is 676468-79-4.
What is the molecular formula of 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one?
The molecular formula of 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one is C15H12FNOS.
What is the molecular weight of 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one?
The molecular weight of 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one is 273.06 g/mol.
Where can I buy 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one?
You can request a quote for 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-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 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.