2-Methoxy-5-(difluoromethanesulfonyl)aniline
TL;DR: 2-Methoxy-5-(difluoromethanesulfonyl)aniline (CAS 198077-72-4) is a chemical compound with molecular formula C8H9F2NO3S and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(difluoromethylsulfonyl)-2-methoxyaniline
Also Known As: 2-methoxy-5-(difluoromethanesulfonyl)aniline, 5-(difluoromethylsulfonyl)-2-methoxyaniline, 5-(difluoromethylsulfonyl)-2-methoxy-aniline, 5-[(Difluoromethyl)sulfonyl]-2-methoxybenzenamine, 5-[(difluoromethyl)sulfonyl]-2-methoxyphenylamine
| Molecular Formula | C8H9F2NO3S |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 1.2737 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.02711 |
| Heavy Atoms | 15 |
| Complexity | 458.95462 |
Chemical Identifiers
| CAS Number | 198077-72-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)C(F)F)N |
Product Overview
2-Methoxy-5-(difluoromethanesulfonyl)aniline (CAS 198077-72-4), with molecular formula C8H9F2NO3S and molecular weight 237.03 g/mol. IUPAC: 5-(difluoromethylsulfonyl)-2-methoxyaniline.
Chemical Property Profile of 2-Methoxy-5-(difluoromethanesulfonyl)aniline
Property Insights of 2-Methoxy-5-(difluoromethanesulfonyl)aniline
The XLogP value of 1.2737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-5-(difluoromethanesulfonyl)aniline. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-5-(difluoromethanesulfonyl)aniline. Following Lipinski's Rule of Five, 2-Methoxy-5-(difluoromethanesulfonyl)aniline 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-Methoxy-5-(difluoromethanesulfonyl)aniline?
The CAS number of 2-Methoxy-5-(difluoromethanesulfonyl)aniline is 198077-72-4.
What is the molecular formula of 2-Methoxy-5-(difluoromethanesulfonyl)aniline?
The molecular formula of 2-Methoxy-5-(difluoromethanesulfonyl)aniline is C8H9F2NO3S.
What is the molecular weight of 2-Methoxy-5-(difluoromethanesulfonyl)aniline?
The molecular weight of 2-Methoxy-5-(difluoromethanesulfonyl)aniline is 237.03 g/mol.
Where can I buy 2-Methoxy-5-(difluoromethanesulfonyl)aniline?
You can request a quote for 2-Methoxy-5-(difluoromethanesulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-5-(difluoromethanesulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-5-(difluoromethanesulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.