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CAS 1524-86-3 9-Fluoro-16a,17-(isopropylidenedioxy)corticosterone molecular structure lightbox
CAS RN: 1524-86-3

9-Fluoro-16a,17-(isopropylidenedioxy)corticosterone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1524-86-3
  • Purity/Analytical Methods: >99.0%
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1524-86-3 / (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one

Standard CAS: 1524-86-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1524-86-3
Multi CAS
No
Molecular Formula
C24H33FO6
Molecular Weight
436.500000
Exact Mass
436.226117
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F
InChI
InChI=1S/C24H33FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h9,15-17,19,26,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
TZFZVQNBXVBQDC-JNQJZLCISA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
108.69
TPSA
93.06

LogP / Solubility

WLOGP
2.64
MLOGP
2.35
XLogP3
2.3
Consensus LogP
2.43
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
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)
-3.51

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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