| CAS Number | 1639417-54-1 |
| Catalog Number | AG01ENZH(AGN-PC-3H464K) |
| Chemical Name | Tenalisib R Enantiomer |
| IUPAC Name | 3-(3-fluorophenyl)-2-[(1R)-1-(7H-purin-6-ylamino)propyl]chromen-4-one |
| InChI | InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m1/s1 |
| InChI Key | HDXDQPRPFRKGKZ-MRXNPFEDSA-N |
| MDL Number | MFCD31657421 |
| Molecular Formula | C23H18FN5O2 |
| Molecular Weight | 415.4197 |
| SMILES | C1([C@H](NC2=C3C(=NC=N2)NC=N3)CC)OC2=CC=CC=C2C(=O)C=1C1=CC=CC(F)=C1 |
| Synonyms | Tenalisib R Enantiomer,
SCHEMBL16279824,
HY-112172,
CS-0043601,
1639417-54-1,
|
| Complexity | 704 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 415.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 415.428g/mol |
| Monoisotopic Mass | 415.144g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number