4B-069
TL;DR: 4B-069 (CAS 338416-73-2) is a chemical compound with molecular formula C16H14N2OS and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one
Also Known As: 4B-069, (2E)-2-{[(4-methylphenyl)amino]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one, 2-(4-toluidinomethylene)-2H-1,4-benzothiazin-3(4H)-one, (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one, (2E)-2-[(4-methylanilino)methylene]-4H-1,4-benzothiazin-3-one
| Molecular Formula | C16H14N2OS |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.99272 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.08267 |
| Heavy Atoms | 20 |
| Complexity | 677.13116 |
Chemical Identifiers
| CAS Number | 338416-73-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/C=C/2\C(=O)NC3=CC=CC=C3S2 |
Product Overview
4B-069 (CAS 338416-73-2), with molecular formula C16H14N2OS and molecular weight 282.08 g/mol. IUPAC: (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 4B-069
Property Insights of 4B-069
The XLogP value of 3.99272 indicates that 4B-069 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 4B-069 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4B-069 has 2 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 4B-069?
The CAS number of 4B-069 is 338416-73-2.
What is the molecular formula of 4B-069?
The molecular formula of 4B-069 is C16H14N2OS.
What is the molecular weight of 4B-069?
The molecular weight of 4B-069 is 282.08 g/mol.
Where can I buy 4B-069?
You can request a quote for 4B-069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4B-069?
Yes, KEHONG BIO provides custom synthesis services for 4B-069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.