5-(Ethenesulfonyl)-2-methoxyaniline
TL;DR: 5-(Ethenesulfonyl)-2-methoxyaniline (CAS 5164-06-7) is a chemical compound with molecular formula C9H11NO3S and molecular weight 213.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethenylsulfonyl-2-methoxyaniline
Also Known As: 5-(ethenesulfonyl)-2-methoxyaniline, 5-ethenylsulfonyl-2-methoxyaniline, TimTec1_000928, 2-amino-4-vinylsulfonylanisole, 2-methoxy-5-(vinylsulfonyl)benzenamine
| Molecular Formula | C9H11NO3S |
|---|---|
| Molecular Weight | 213.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.04596 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 5164-06-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)C=C)N |
| InChIKey | BWIRDXIWTVUOFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Ethenesulfonyl)-2-methoxyaniline (CAS 5164-06-7), with molecular formula C9H11NO3S and molecular weight 213.05 g/mol. IUPAC: 5-ethenylsulfonyl-2-methoxyaniline.
Chemical Property Profile of 5-(Ethenesulfonyl)-2-methoxyaniline
Property Insights of 5-(Ethenesulfonyl)-2-methoxyaniline
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Ethenesulfonyl)-2-methoxyaniline. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Ethenesulfonyl)-2-methoxyaniline. Following Lipinski's Rule of Five, 5-(Ethenesulfonyl)-2-methoxyaniline 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 5-(Ethenesulfonyl)-2-methoxyaniline?
The CAS number of 5-(Ethenesulfonyl)-2-methoxyaniline is 5164-06-7.
What is the molecular formula of 5-(Ethenesulfonyl)-2-methoxyaniline?
The molecular formula of 5-(Ethenesulfonyl)-2-methoxyaniline is C9H11NO3S.
What is the molecular weight of 5-(Ethenesulfonyl)-2-methoxyaniline?
The molecular weight of 5-(Ethenesulfonyl)-2-methoxyaniline is 213.05 g/mol.
Where can I buy 5-(Ethenesulfonyl)-2-methoxyaniline?
You can request a quote for 5-(Ethenesulfonyl)-2-methoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Ethenesulfonyl)-2-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(Ethenesulfonyl)-2-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.