2-benzylidene-4H-1,4-benzothiazin-3-one
TL;DR: 2-benzylidene-4H-1,4-benzothiazin-3-one (CAS 55043-20-4) 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-benzylidene-4H-1,4-benzothiazin-3-one
Also Known As: Maybridge1_005859, 2-benzylidene-4H-1,4-benzothiazin-3-one, (2Z)-2-benzylidene-4H-1,4-benzothiazin-3-one, 2-Benzylidene-2H-1,4-benzothiazin-3(4H)-one, 2H-1,4-Benzothiazin-3(4H)-one,2-(phenylmethylene)-
| Molecular Formula | C15H11NOS |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 3.5 |
| 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 | 55043-20-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C(=O)NC3=CC=CC=C3S2 |
| InChIKey | DOQUSBFMNDTPGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-benzylidene-4H-1,4-benzothiazin-3-one (CAS 55043-20-4), with molecular formula C15H11NOS and molecular weight 253.06 g/mol. IUPAC: 2-benzylidene-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 2-benzylidene-4H-1,4-benzothiazin-3-one
Property Insights of 2-benzylidene-4H-1,4-benzothiazin-3-one
The XLogP value of 3.5 indicates that 2-benzylidene-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 54.4 Ų, 2-benzylidene-4H-1,4-benzothiazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzylidene-4H-1,4-benzothiazin-3-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-benzylidene-4H-1,4-benzothiazin-3-one?
The CAS number of 2-benzylidene-4H-1,4-benzothiazin-3-one is 55043-20-4.
What is the molecular formula of 2-benzylidene-4H-1,4-benzothiazin-3-one?
The molecular formula of 2-benzylidene-4H-1,4-benzothiazin-3-one is C15H11NOS.
What is the molecular weight of 2-benzylidene-4H-1,4-benzothiazin-3-one?
The molecular weight of 2-benzylidene-4H-1,4-benzothiazin-3-one is 253.06 g/mol.
Where can I buy 2-benzylidene-4H-1,4-benzothiazin-3-one?
You can request a quote for 2-benzylidene-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-benzylidene-4H-1,4-benzothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylidene-4H-1,4-benzothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.