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CAS 55879-47-5 6-hydroxydexamethasone molecular structure lightbox
CAS RN: 55879-47-5

6-hydroxydexamethasone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260622 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS55879-47-5
  • Purity/Analytical Methods: >99.0%
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55879-47-5 / (6R,8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Standard CAS: 55879-47-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55879-47-5
Multi CAS
Yes
Molecular Formula
C22FH29O6
Molecular Weight
408.500000
Exact Mass
408.194817
InChI
InChI=1S/C22H29FO6/c1-11-6-13-14-8-16(26)15-7-12(25)4-5-19(15,2)21(14,23)17(27)9-20(13,3)22(11,29)18(28)10-24/h4-5,7,11,13-14,16-17,24,26-27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16-,17+,19+,20+,21+,22+/m1/s1
InChIKey
RVBSTEHLLHXILB-QODHSQIYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
101.33
TPSA
115.06

LogP / Solubility

WLOGP
0.87
MLOGP
0.79
XLogP3
0.9
Consensus LogP
0.85
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.6

Drug-likeness / Medicinal Chemistry

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

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