N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
TL;DR: N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 312592-03-3) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: DivK1c_005040, 3-[(3-methoxyphenyl)amino]-1, CDS1_004000, N-(3-methoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine, BAS 00789734
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 312592-03-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | ZWRWAJYHIBZZRS-UHFFFAOYSA-N |
Product Overview
N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 312592-03-3), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: N-(3-methoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
Property Insights of N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide. Following Lipinski's Rule of Five, N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide 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-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The CAS number of N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is 312592-03-3.
What is the molecular formula of N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular formula of N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is C14H12N2O3S.
What is the molecular weight of N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular weight of N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is 288.06 g/mol.
Where can I buy N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
You can request a quote for N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methoxyphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.