4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline
TL;DR: 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline (CAS 80036-87-9) is a chemical compound with molecular formula C9H12BrNO3S and molecular weight 292.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-ethylsulfonyl-5-methoxyaniline
Also Known As: EINECS 279-377-0, 4-bromo-2-ethylsulfonyl-5-methoxyaniline, 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline, 4-BROMO-2-(ETHYLSULFONYL)-5-METHOXYANILINE, 4-BROMO-2-(ETHANESULFONYL)-5-METHOXYANILINE
| Molecular Formula | C9H12BrNO3S |
|---|---|
| Molecular Weight | 292.97 g/mol |
| LogP | 1.8335 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.97214 |
| Heavy Atoms | 15 |
| Complexity | 470.49097 |
Chemical Identifiers
| CAS Number | 80036-87-9 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC(=C(C=C1N)OC)Br |
Product Overview
4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline (CAS 80036-87-9), with molecular formula C9H12BrNO3S and molecular weight 292.97 g/mol. IUPAC: 4-bromo-2-ethylsulfonyl-5-methoxyaniline.
Chemical Property Profile of 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline
Property Insights of 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline
The XLogP value of 1.8335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline. Following Lipinski's Rule of Five, 4-Bromo-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 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline?
The CAS number of 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline is 80036-87-9.
What is the molecular formula of 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline?
The molecular formula of 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline is C9H12BrNO3S.
What is the molecular weight of 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline?
The molecular weight of 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline is 292.97 g/mol.
Where can I buy 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline?
You can request a quote for 4-Bromo-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 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(ethylsulphonyl)-5-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.