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CAS 19466-41-2 Rubrosterone molecular structure lightbox
CAS RN: 19466-41-2

Rubrosterone

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Batchno.20250521 1mg Out of stock Inquiry
  • Product code: starshine_CAS19466-41-2
  • Purity/Analytical Methods: >99.0%
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19466-41-2 / (2S,3R,5R,9R,10R,13S,14R)-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-6,17-dione

Standard CAS: 19466-41-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19466-41-2
Multi CAS
No
Molecular Formula
C19H26O5
Molecular Weight
334.400000
Exact Mass
334.178024
SMILES
C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CCC2=O)O
InChI
InChI=1S/C19H26O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-15,21-22,24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,17+,18+,19+/m0/s1
InChIKey
OMQCWEJQYPUGJG-DTDIXVHCSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.79
H-bond acceptors
5
H-bond donors
3
Molar refractivity
85.96
TPSA
94.83

LogP / Solubility

WLOGP
1.14
MLOGP
1.02
XLogP3
-0.3
Consensus LogP
0.62
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately 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)
-3.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6.5

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