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CAS 2930-80-5 CHOLESTERYL IODIDE molecular structure lightbox
CAS RN: 2930-80-5

CHOLESTERYL IODIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260226 100mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2930-80-5
  • Purity/Analytical Methods: >99.0%
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2930-80-5 / (3S,8S,9S,10R,13R,14S,17R)-3-iodo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Standard CAS: 2930-80-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2930-80-5
Multi CAS
Yes
Molecular Formula
C27H45I
Molecular Weight
496.500000
Exact Mass
496.256600
InChI
InChI=1S/C27H45I/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
PMVJGSYGUZXDAR-DPAQBDIFSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.93
Rotatable bonds
5
Molar refractivity
130.85
TPSA
0.0000

LogP / Solubility

WLOGP
8.83
MLOGP
7.81
XLogP3
10.5
Consensus LogP
9.05
Log S (ESOL)
-8.15
Class (ESOL)
Insoluble
Log S (Ali)
-10.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.82
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)
0.52

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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