![4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate structure](/static/products/332/332128-98-0.png)
4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate
TL;DR: 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate (CAS 332128-98-0) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] butanoate
Also Known As: BAS 01169021, 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate, [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] butanoate, 4-[(1,1-dioxobenzo[d]1,2-thiazolin-3-yl)amino]phenyl butanoate
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 332128-98-0 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | SACPRGYGFUICKK-UHFFFAOYSA-N |
Product Overview
4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate (CAS 332128-98-0), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] butanoate.
Chemical Property Profile of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate
Property Insights of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate. Following Lipinski's Rule of Five, 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate has 1 hydrogen bond donor(s) and 5 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 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate?
The CAS number of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate is 332128-98-0.
What is the molecular formula of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate?
The molecular formula of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate is C17H16N2O4S.
What is the molecular weight of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate?
The molecular weight of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate is 344.08 g/mol.
Where can I buy 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate?
You can request a quote for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.