![4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate structure](/static/products/3140/314042-58-5.webp)
4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate
TL;DR: 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate (CAS 314042-58-5) 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)-methylamino]phenyl] propanoate
Also Known As: BAS 01100667, A2155/0090490, [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] propanoate, 4-((1,1-dioxidobenzo[d]isothiazol-3-yl)(methyl)amino)phenyl propionate, 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 314042-58-5 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)N(C)C2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | XEJLGOPQNHBUPP-UHFFFAOYSA-N |
Product Overview
4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate (CAS 314042-58-5), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] propanoate.
Chemical Property Profile of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate
Property Insights of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate. Following Lipinski's Rule of Five, 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate has 0 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)(methyl)amino]phenyl propanoate?
The CAS number of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate is 314042-58-5.
What is the molecular formula of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate?
The molecular formula of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate is C17H16N2O4S.
What is the molecular weight of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate?
The molecular weight of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate is 344.08 g/mol.
Where can I buy 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate?
You can request a quote for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate 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)(methyl)amino]phenyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.