(2E)-2-benzylidene-4H-1,4-benzothiazin-3-one
TL;DR: (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one (CAS 24545-07-1) 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.
(2E)-2-benzylidene-4H-1,4-benzothiazin-3-one
Also Known As: (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one, (2E)-2-benzylidene-2H-1,4-benzothiazin-3(4H)-one, J3.599.648F, 2-Benzylidene-2H-1,4-benzothiazin-3(4H)-one, 2-Benzylidene-2H-1,4-benzothiazine-3(4H)-one
| Molecular Formula | C15H11NOS |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 3.7719 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.05614 |
| Heavy Atoms | 18 |
| Complexity | 619.4006 |
Chemical Identifiers
| CAS Number | 24545-07-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)NC3=CC=CC=C3S2 |
Product Overview
(2E)-2-benzylidene-4H-1,4-benzothiazin-3-one (CAS 24545-07-1), with molecular formula C15H11NOS and molecular weight 253.06 g/mol. IUPAC: (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one
Property Insights of (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one
The XLogP value of 3.7719 indicates that (2E)-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 29.1 Ų, (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-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 (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one?
The CAS number of (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one is 24545-07-1.
What is the molecular formula of (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one?
The molecular formula of (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one is C15H11NOS.
What is the molecular weight of (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one?
The molecular weight of (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one is 253.06 g/mol.
Where can I buy (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one?
You can request a quote for (2E)-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 (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-benzylidene-4H-1,4-benzothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.