| CAS Number | 1903800-11-2 |
| Catalog Number | AG01EOSV(AGN-PC-3H46J8) |
| Chemical Name | KIN1408 |
| IUPAC Name | 7-[[4-(difluoromethoxy)phenyl]-[(5-methoxy-1,3-benzothiazol-2-yl)amino]methyl]quinolin-8-ol |
| InChI | InChI=1S/C25H19F2N3O3S/c1-32-17-9-11-20-19(13-17)29-25(34-20)30-21(15-4-7-16(8-5-15)33-24(26)27)18-10-6-14-3-2-12-28-22(14)23(18)31/h2-13,21,24,31H,1H3,(H,29,30) |
| InChI Key | YSGBFDHVEQJPPX-UHFFFAOYSA-N |
| MDL Number | MFCD29924731 |
| Molecular Formula | C25H19F2N3O3S |
| Molecular Weight | 479.4985 |
| SMILES | FC(F)OC1=CC=C(C(C2=C(O)C(N=CC=C3)=C3C=C2)N(C4=NC(C=C(OC)C=C5)=C5S4)[H])C=C1 |
| Synonyms | KIN1408,
1903800-11-2,
SCHEMBL17681880,
CS-5477,
HY-19961,
KIN1408, >=98% (HPLC),
|
| Complexity | 657 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 479.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 479.502g/mol |
| Monoisotopic Mass | 479.112g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number