N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
TL;DR: N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 108012-56-2) is a chemical compound with molecular formula C15H14N2O3S and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: DivK1c_004910, CDS1_003870, BAS 00789728, BIM-0017379.P001, N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
| Molecular Formula | C15H14N2O3S |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0725 |
| Heavy Atoms | 21 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 108012-56-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | KLRXILIEPKAFRP-UHFFFAOYSA-N |
Product Overview
N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 108012-56-2), with molecular formula C15H14N2O3S and molecular weight 302.07 g/mol. IUPAC: N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Property Insights of N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine. Following Lipinski's Rule of Five, N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine has 1 hydrogen bond donor(s) and 4 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 N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The CAS number of N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 108012-56-2.
What is the molecular formula of N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular formula of N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is C15H14N2O3S.
What is the molecular weight of N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular weight of N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 302.07 g/mol.
Where can I buy N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
You can request a quote for N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-ethoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.