CAS RN: 378-44-9
Betamethasone
Product Availability
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2 package records1 with current stock1 grade group
- Product code: ICTB1837
- Purity/Analytical Methods: >98.0%(HPLC)
378-44-9 / 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Basic Information
CAS
378-44-9
Multi CAS
Yes
Molecular Formula
C22FH29O5
Molecular Weight
392.500000
Exact Mass
392.199902
InChI
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3
InChIKey
UREBDLICKHMUKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
99.94
TPSA
94.83
LogP / Solubility
WLOGP
1.9
MLOGP
1.69
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
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
No
Log Kp (skin permeation)
-3.77
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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