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CAS 948566-12-9 Fluticasone EP IMpurity B molecular structure lightbox
CAS RN: 948566-12-9

Fluticasone EP IMpurity B

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3 package records3 with current stock1 grade group
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Batchno.20251205 10mg In stock Inquiry
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  • Product code: starshine_CAS948566-12-9
  • Purity/Analytical Methods: >99.0%
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948566-12-9 / [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-17-hydroxysulfanylcarbonyl-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

Standard CAS: 948566-12-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
948566-12-9
Multi CAS
Yes
Molecular Formula
C24F2H30O6S
Molecular Weight
484.600000
Exact Mass
484.173116
InChI
InChI=1S/C24H30F2O6S/c1-5-19(29)32-24(20(30)33-31)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/h6-7,9,12,14-15,17-18,28,31H,5,8,10-11H2,1-4H3/t12-,14+,15+,17+,18+,21+,22+,23+,24+/m1/s1
InChIKey
DNPGNKRLBBLSLN-CQRCZTONSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
2
Molar refractivity
117.52
TPSA
100.9

LogP / Solubility

WLOGP
3.98
MLOGP
3.53
XLogP3
2.6
Consensus LogP
3.37
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble

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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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