| CAS Number | 1642297-01-5 |
| Catalog Number | AG01EO6Y(AGN-PC-3H468C) |
| Chemical Name | GDC-0927 |
| IUPAC Name | (2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol |
| InChI | InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1 |
| InChI Key | KJAAPZIFCQQQKX-NDEPHWFRSA-N |
| MDL Number | MFCD31631581 |
| Molecular Formula | C28H28FNO4 |
| Molecular Weight | 461.5246 |
| SMILES | OC1=CC=C2C(C(C)=C(C3=CC=CC(O)=C3)[C@H](C4=CC=C(OCCN5CC(CF)C5)C=C4)O2)=C1 |
| Synonyms | GDC-0927,
1642297-01-5,
(S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol,
Q50825069,
(2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol,
UNII-ST9B0EMC0H,
ST9B0EMC0H,
SCHEMBL16325181,
KJAAPZIFCQQQKX-NDEPHWFRSA-N,
US10227334, Example 3,
BDBM368199,
BCP29507,
RG-6047,
HY-111484,
CS-0042191,
GDC 0927; GDC0927; SRN-927; SRN 927; SRN927,
2100830-77-9,
OGJ,
|
| Complexity | 703 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 461.200237g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 461.5g/mol |
| Monoisotopic Mass | 461.200237g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 62.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number