CAS RN: 356-12-7
Fluocinonide
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS356-12-7
- Purity/Analytical Methods: >99.0%
356-12-7 / [2-(12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl)-2-oxoethyl] acetate
Basic Information
CAS
356-12-7
Multi CAS
Yes
Molecular Formula
C26F2H32O7
Molecular Weight
494.500000
Exact Mass
494.211610
InChI
InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3
InChIKey
WJOHZNCJWYWUJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
118.42
TPSA
99.13
LogP / Solubility
WLOGP
2.94
MLOGP
2.62
XLogP3
3.2
Consensus LogP
2.92
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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