CAS RN: 33564-31-7
Diflorasone diacetate
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS33564-31-7
- Purity/Analytical Methods: >99.0%
33564-31-7 / [2-(17-acetyloxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Basic Information
CAS
33564-31-7
Multi CAS
Yes
Molecular Formula
C26F2H32O7
Molecular Weight
494.500000
Exact Mass
494.211610
InChI
InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1
InChIKey
BOBLHFUVNSFZPJ-JOYXJVLSSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
119.32
TPSA
106.97
LogP / Solubility
WLOGP
2.99
MLOGP
2.66
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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![CAS 33575-83-6 2-CHLOROMETHYL-5-PHENYL-[1,3,4]OXADIAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/33575-83-6.gif)