2-Ethylsulphonyl-5-methoxyaniline
TL;DR: 2-Ethylsulphonyl-5-methoxyaniline (CAS 80036-86-8) 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.
2-ethylsulfonyl-5-methoxyaniline
Also Known As: 2-ethylsulfonyl-5-methoxyaniline, 2-Ethylsulphonyl-5-methoxyaniline, Amisulpride Impurity 16, Amisulpride Impurity 28, EINECS 279-376-5
| Molecular Formula | C9H13NO3S |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 1.071 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.06161 |
| Heavy Atoms | 14 |
| Complexity | 425.68326 |
Chemical Identifiers
| CAS Number | 80036-86-8 |
|---|---|
| SMILES | CCS(=O)(=O)C1=C(C=C(C=C1)OC)N |
Product Overview
2-Ethylsulphonyl-5-methoxyaniline (CAS 80036-86-8), with molecular formula C9H13NO3S and molecular weight 215.06 g/mol. IUPAC: 2-ethylsulfonyl-5-methoxyaniline.
Chemical Property Profile of 2-Ethylsulphonyl-5-methoxyaniline
Property Insights of 2-Ethylsulphonyl-5-methoxyaniline
The XLogP value of 1.071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylsulphonyl-5-methoxyaniline. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethylsulphonyl-5-methoxyaniline. Following Lipinski's Rule of Five, 2-Ethylsulphonyl-5-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 2-Ethylsulphonyl-5-methoxyaniline?
The CAS number of 2-Ethylsulphonyl-5-methoxyaniline is 80036-86-8.
What is the molecular formula of 2-Ethylsulphonyl-5-methoxyaniline?
The molecular formula of 2-Ethylsulphonyl-5-methoxyaniline is C9H13NO3S.
What is the molecular weight of 2-Ethylsulphonyl-5-methoxyaniline?
The molecular weight of 2-Ethylsulphonyl-5-methoxyaniline is 215.06 g/mol.
Where can I buy 2-Ethylsulphonyl-5-methoxyaniline?
You can request a quote for 2-Ethylsulphonyl-5-methoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylsulphonyl-5-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylsulphonyl-5-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.