CAS RN: 75883-07-7
BETAMETHASONE 21-PROPIONATE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS75883-07-7
- Purity/Analytical Methods: >99.0%
75883-07-7 / [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Basic Information
CAS
75883-07-7
Multi CAS
Yes
Molecular Formula
C25FH33O6
Molecular Weight
448.500000
Exact Mass
448.226117
InChI
InChI=1S/C25H33FO6/c1-5-21(30)32-13-20(29)25(31)14(2)10-18-17-7-6-15-11-16(27)8-9-22(15,3)24(17,26)19(28)12-23(18,25)4/h8-9,11,14,17-19,28,31H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
InChIKey
ALINSFFSOAHJII-XGQKBEPLSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.72
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
114.11
TPSA
100.9
LogP / Solubility
WLOGP
2.86
MLOGP
2.54
XLogP3
3.1
Consensus LogP
2.83
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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- Product Code: SSC-185323
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