4-(Trifluoromethoxy)benzenesulphonylacetonitrile
TL;DR: 4-(Trifluoromethoxy)benzenesulphonylacetonitrile (CAS 1268265-13-9) is a chemical compound with molecular formula C9H6F3NO3S and molecular weight 265.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(trifluoromethoxy)phenyl]sulfonylacetonitrile
Also Known As: Maybridge3_003727, 4-(Trifluoromethoxy)benzenesulphonylacetonitrile, 2-[4-(trifluoromethoxy)benzenesulfonyl]acetonitrile, IDI1_015114, 2-[4-(trifluoromethoxy)phenyl]sulfonylacetonitrile
| Molecular Formula | C9H6F3NO3S |
|---|---|
| Molecular Weight | 265.00 g/mol |
| LogP | 1.88248 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.00204 |
| Heavy Atoms | 17 |
| Complexity | 528.0899 |
Chemical Identifiers
| CAS Number | 1268265-13-9 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)CC#N |
Product Overview
4-(Trifluoromethoxy)benzenesulphonylacetonitrile (CAS 1268265-13-9), with molecular formula C9H6F3NO3S and molecular weight 265.00 g/mol. IUPAC: 2-[4-(trifluoromethoxy)phenyl]sulfonylacetonitrile.
Chemical Property Profile of 4-(Trifluoromethoxy)benzenesulphonylacetonitrile
Property Insights of 4-(Trifluoromethoxy)benzenesulphonylacetonitrile
The XLogP value of 1.88248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethoxy)benzenesulphonylacetonitrile. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Trifluoromethoxy)benzenesulphonylacetonitrile. Following Lipinski's Rule of Five, 4-(Trifluoromethoxy)benzenesulphonylacetonitrile has 0 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-(Trifluoromethoxy)benzenesulphonylacetonitrile?
The CAS number of 4-(Trifluoromethoxy)benzenesulphonylacetonitrile is 1268265-13-9.
What is the molecular formula of 4-(Trifluoromethoxy)benzenesulphonylacetonitrile?
The molecular formula of 4-(Trifluoromethoxy)benzenesulphonylacetonitrile is C9H6F3NO3S.
What is the molecular weight of 4-(Trifluoromethoxy)benzenesulphonylacetonitrile?
The molecular weight of 4-(Trifluoromethoxy)benzenesulphonylacetonitrile is 265.00 g/mol.
Where can I buy 4-(Trifluoromethoxy)benzenesulphonylacetonitrile?
You can request a quote for 4-(Trifluoromethoxy)benzenesulphonylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethoxy)benzenesulphonylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethoxy)benzenesulphonylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.