2-Methoxy-5-trifluoromethanesulfonylaniline
TL;DR: 2-Methoxy-5-trifluoromethanesulfonylaniline (CAS 780-90-5) is a chemical compound with molecular formula C8H8F3NO3S and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-(trifluoromethylsulfonyl)aniline
Also Known As: 2-methoxy-5-trifluoromethanesulfonylaniline, 2-methoxy-5-(trifluoromethylsulfonyl)aniline, 2-Methoxy-5-((trifluoromethyl)sulfonyl)aniline, BAS 00312487, 2-methoxy-5-(trifluoromethane)sulfonylaniline
| Molecular Formula | C8H8F3NO3S |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 1.5709 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.0177 |
| Heavy Atoms | 16 |
| Complexity | 495.74026 |
Chemical Identifiers
| CAS Number | 780-90-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)N |
Product Overview
2-Methoxy-5-trifluoromethanesulfonylaniline (CAS 780-90-5), with molecular formula C8H8F3NO3S and molecular weight 255.02 g/mol. IUPAC: 2-methoxy-5-(trifluoromethylsulfonyl)aniline.
Chemical Property Profile of 2-Methoxy-5-trifluoromethanesulfonylaniline
Property Insights of 2-Methoxy-5-trifluoromethanesulfonylaniline
The XLogP value of 1.5709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-5-trifluoromethanesulfonylaniline. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-5-trifluoromethanesulfonylaniline. Following Lipinski's Rule of Five, 2-Methoxy-5-trifluoromethanesulfonylaniline 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-trifluoromethanesulfonylaniline?
The CAS number of 2-Methoxy-5-trifluoromethanesulfonylaniline is 780-90-5.
What is the molecular formula of 2-Methoxy-5-trifluoromethanesulfonylaniline?
The molecular formula of 2-Methoxy-5-trifluoromethanesulfonylaniline is C8H8F3NO3S.
What is the molecular weight of 2-Methoxy-5-trifluoromethanesulfonylaniline?
The molecular weight of 2-Methoxy-5-trifluoromethanesulfonylaniline is 255.02 g/mol.
Where can I buy 2-Methoxy-5-trifluoromethanesulfonylaniline?
You can request a quote for 2-Methoxy-5-trifluoromethanesulfonylaniline 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-trifluoromethanesulfonylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-5-trifluoromethanesulfonylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.