![2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one structure](/static/products/101/101442-17-5.png)
2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
TL;DR: 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one (CAS 101442-17-5) is a chemical compound with molecular formula C17H15NO2S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
Also Known As: 2-(2-oxo-2-p-tolyl-ethyl)-4H-benzo[1,4]thiazin-3-one, 2-(2-oxo-2-(p-tolyl)ethyl)-2H-benzo[b][1,4]thiazin-3(4H)-one, 2-[-(4-methylphenyl)-2-oxoethyl]-4H-benzo-1,4-thiazin-3-one, 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one, 9-[2-(4-methylphenyl)-2-oxo-ethyl]-10-thia-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-one
| Molecular Formula | C17H15NO2S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 3.68082 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.08234 |
| Heavy Atoms | 21 |
| Complexity | 694.1912 |
Chemical Identifiers
| CAS Number | 101442-17-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC2C(=O)NC3=CC=CC=C3S2 |
Product Overview
2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one (CAS 101442-17-5), with molecular formula C17H15NO2S and molecular weight 297.08 g/mol. IUPAC: 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
Property Insights of 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
The XLogP value of 3.68082 indicates that 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one has 1 hydrogen bond donor(s) and 3 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-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The CAS number of 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one is 101442-17-5.
What is the molecular formula of 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The molecular formula of 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one is C17H15NO2S.
What is the molecular weight of 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The molecular weight of 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one is 297.08 g/mol.
Where can I buy 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
You can request a quote for 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-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-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.