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CAS 144154-78-9 24(RS)-Hydroxycholesterol-d7 molecular structure lightbox
CAS RN: 144154-78-9

24(RS)-Hydroxycholesterol-d7

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS144154-78-9
  • Purity/Analytical Methods: >99.0%
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144154-78-9 / (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-5-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Standard CAS: 144154-78-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144154-78-9
Multi CAS
No
Molecular Formula
C27H46O2
Molecular Weight
409.700000
Exact Mass
409.393718
SMILES
[2H]C([2H])([2H])C([2H])(C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)C([2H])([2H])[2H]
InChI
InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3
InChIKey
IOWMKBFJCNLRTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.93
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
120.44
TPSA
40.46

LogP / Solubility

WLOGP
6.36
MLOGP
5.62
XLogP3
7
Consensus LogP
6.33
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
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)
-0.66

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
7.5

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