NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one
|
|
|
IUPAC Traditional name
|
4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]chromen-2-one
|
|
|
Synonyms
|
4-Hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one
|
S-(-)- 3-(α-Acetonylbenzyl)-4-hydroxycoumarin
|
(-)-Warfarin
|
(S)-Warfarin
|
S-(-)-Warfarin
|
4-Hydroxy-3-[(1s)-3-Oxo-1-Phenylbutyl]-2h-Chromen-2-One
|
S-(-)-3-Acetonybenzyl)-4-hydroxycoumarin
|
S-(-)-4-Hydroxy-3-(3-oxo-1-phenybutyl)-2H-1-benzopyran-2-one
|
(S)-(-)-Warfarin
|
|
|
CAS Number
|
|
EC Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
ALOGPS 2.1
Acid pKa
|
6.330688
|
H Acceptors
|
3
|
H Donor
|
1
|
LogD (pH = 5.5)
|
2.6849828
|
LogD (pH = 7.4)
|
1.6473457
|
Log P
|
2.7447073
|
Molar Refractivity
|
86.8601 cm3
|
Polarizability
|
33.339684 Å3
|
Polar Surface Area
|
63.6 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
Log P
|
2.41
|
LOG S
|
-3.82
|
Solubility (Water)
|
4.72e-02 g/l
|
DETAILS
DETAILS
DrugBank
Sigma Aldrich
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Hagan, E.C., et al.: J. Am. Pharm. Assoc. Sci. Ed., 42, 379 (1953)
- • Bell, R.G., et al.: Biochemistry, 11, 1959 (1953)
- • Valente, J.E., et al.: J. Med. Chem., 20, 1489 (1953)
- • Back, N., et al.: Pharmacol. Res. Commun., 10, 445, (1953)
- • Babhair, S.A., et al.
- Searching...Please wait...
PATENTS
PATENTS
PubChem Patent
Google Patent