CAS RN: 65429-42-7
FLUTICASONE PROPIONATE, 17-BETA CARBOXYLIC ACID
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS65429-42-7
- Purity/Analytical Methods: >99.0%
65429-42-7 / (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Basic Information
CAS
65429-42-7
Multi CAS
Yes
Molecular Formula
C24F2H30O6
Molecular Weight
452.500000
Exact Mass
452.201045
InChI
InChI=1S/C24H30F2O6/c1-5-19(29)32-24(20(30)31)12(2)8-14-15-10-17(25)16-9-13(27)6-7-21(16,3)23(15,26)18(28)11-22(14,24)4/h6-7,9,12,14-15,17-18,28H,5,8,10-11H2,1-4H3,(H,30,31)/t12-,14+,15+,17+,18+,21+,22+,23+,24+/m1/s1
InChIKey
DEDYNJVITFVPOG-CQRCZTONSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
109.93
TPSA
100.9
LogP / Solubility
WLOGP
3.33
MLOGP
2.96
XLogP3
2.6
Consensus LogP
2.96
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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