![2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid structure](/static/products/4591/459188-73-9.webp)
2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid
TL;DR: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid (CAS 459188-73-9) is a chemical compound with molecular formula C9H6F3NO6S2 and molecular weight 344.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic acid
Also Known As: 2-[(2-Nitro-4-trifluoromethanesulfonylphenyl)sulfanyl]acetic acid, 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid, ({2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl}thio)acetic acid, AB00673639-01, 2-((2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)thio)acetic acid
| Molecular Formula | C9H6F3NO6S2 |
|---|---|
| Molecular Weight | 344.96 g/mol |
| LogP | 2.065 |
| Topological Polar Surface Area | 114.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.95886 |
| Heavy Atoms | 21 |
| Complexity | 685.2137 |
Chemical Identifiers
| CAS Number | 459188-73-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])SCC(=O)O |
Product Overview
2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid (CAS 459188-73-9), with molecular formula C9H6F3NO6S2 and molecular weight 344.96 g/mol. IUPAC: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic acid.
Chemical Property Profile of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid
Property Insights of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid
The XLogP value of 2.065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid. The TPSA of 114.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid. Following Lipinski's Rule of Five, 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid has 1 hydrogen bond donor(s) and 6 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-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid?
The CAS number of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid is 459188-73-9.
What is the molecular formula of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid?
The molecular formula of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid is C9H6F3NO6S2.
What is the molecular weight of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid?
The molecular weight of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid is 344.96 g/mol.
Where can I buy 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid?
You can request a quote for 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.