5-Ethylsulphonyl-o-anisidine
TL;DR: 5-Ethylsulphonyl-o-anisidine (CAS 5339-62-8) is a chemical compound with molecular formula C9H13NO3S and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylsulfonyl-2-methoxyaniline
Also Known As: 5-(Ethylsulfonyl)-2-methoxyaniline, Fast Red GTR Base, 5-ethylsulfonyl-2-methoxyaniline, fastredGTRbase, 5-Ethylsulphonyl-o-anisidine
| Molecular Formula | C9H13NO3S |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.06161 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 5339-62-8 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC(=C(C=C1)OC)N |
| InChIKey | XDLWNEUYUGKDTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Ethylsulphonyl-o-anisidine (CAS 5339-62-8), with molecular formula C9H13NO3S and molecular weight 215.06 g/mol. IUPAC: 5-ethylsulfonyl-2-methoxyaniline.
Chemical Property Profile of 5-Ethylsulphonyl-o-anisidine
Property Insights of 5-Ethylsulphonyl-o-anisidine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethylsulphonyl-o-anisidine. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethylsulphonyl-o-anisidine. Following Lipinski's Rule of Five, 5-Ethylsulphonyl-o-anisidine 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-Ethylsulphonyl-o-anisidine?
The CAS number of 5-Ethylsulphonyl-o-anisidine is 5339-62-8.
What is the molecular formula of 5-Ethylsulphonyl-o-anisidine?
The molecular formula of 5-Ethylsulphonyl-o-anisidine is C9H13NO3S.
What is the molecular weight of 5-Ethylsulphonyl-o-anisidine?
The molecular weight of 5-Ethylsulphonyl-o-anisidine is 215.06 g/mol.
Where can I buy 5-Ethylsulphonyl-o-anisidine?
You can request a quote for 5-Ethylsulphonyl-o-anisidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethylsulphonyl-o-anisidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethylsulphonyl-o-anisidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.