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CAS 23290-26-8 DELTA7-AVENASTEROL molecular structure lightbox
CAS RN: 23290-26-8

DELTA7-AVENASTEROL

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 1mg In stock Shanghai Inquiry
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Batchno.20251005 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS23290-26-8
  • Purity/Analytical Methods: >99.0%
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23290-26-8 / (3S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Standard CAS: 23290-26-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
23290-26-8
Multi CAS
Yes
Molecular Formula
C29H48O
Molecular Weight
412.700000
Exact Mass
412.370516
InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey
MCWVPSBQQXUCTB-OQTIOYDCSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
128.19
TPSA
20.23

LogP / Solubility

WLOGP
7.94
MLOGP
7.02
XLogP3
8.6
Consensus LogP
7.85
Log S (ESOL)
-7.07
Class (ESOL)
Insoluble
Log S (Ali)
-8.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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