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CAS 511-26-2 1-[(3S,8S,9S,10R,13R,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11, 12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone molecular structure lightbox
CAS RN: 511-26-2

1-[(3S,8S,9S,10R,13R,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11, 12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS511-26-2
  • Purity/Analytical Methods: >99.0%
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511-26-2 / 1-[(3S,8S,9S,10R,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Standard CAS: 511-26-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
511-26-2
Multi CAS
Yes
Molecular Formula
C22H34O2
Molecular Weight
330.500000
Exact Mass
330.255880
InChI
InChI=1S/C22H34O2/c1-14(23)18-7-8-19-17-6-5-15-13-16(24-4)9-11-21(15,2)20(17)10-12-22(18,19)3/h5,16-20H,6-13H2,1-4H3/t16-,17-,18+,19-,20-,21-,22+/m0/s1
InChIKey
ZVGQOQHAMHMMNE-BIBIXIOVSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
96.67
TPSA
26.3

LogP / Solubility

WLOGP
5.17
MLOGP
4.56
XLogP3
4.8
Consensus LogP
4.84
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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