| CAS Number | 1416258-16-6 |
| Catalog Number | AG009CFV |
| Chemical Name | BID |
| IUPAC Name | 2-[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid |
| InChI | InChI=1S/C25H27NO4/c1-15-21(23(24(27)28)30-25(2,3)4)22(18-9-5-6-10-19(18)26-15)17-11-12-20-16(14-17)8-7-13-29-20/h5-6,9-12,14,23H,7-8,13H2,1-4H3,(H,27,28) |
| InChI Key | ZFERZAMPQIXCPM-UHFFFAOYSA-N |
| MDL Number | MFCD28385845 |
| Molecular Formula | C25H27NO4 |
| Molecular Weight | 405.4862 |
| SMILES | C1C2OCCCC=2C=C(C2=C(C(C(=O)O)OC(C)(C)C)C(C)=NC3C=CC=CC2=3)C=1 |
| Synonyms | ( inverted exclamation markA)-BI-D,
1416258-16-6,
SCHEMBL18347848,
BCP26025,
AKOS030526506,
CS-3511,
HY-18601,
2-tert-butoxy-2-(4-chroman-6-yl-2-methyl-3-quinolyl)acetic acid,
(AfAE'A centa' notA inverted exclamation markAfasA'A inverted exclamation markAfAE'Adaggeratrade markAfA centA centa' notA inverted exclamation markA'A not)-BI-D,
((plusmn))-BI-D,
(+/-)-BI-D,
BID,
|
| Complexity | 602 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.494g/mol |
| Monoisotopic Mass | 405.194g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number