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CAS 601-54-7 3-Keto Cholesterol molecular structure lightbox
CAS RN: 601-54-7

3-Keto Cholesterol

  • Product code: SSC-168673
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 601-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 3 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry

601-54-7 / (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Standard CAS: 601-54-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
601-54-7
Multi CAS
Yes
Molecular Formula
C27H44O
Molecular Weight
384.600000
Exact Mass
384.339216
InChI
InChI=1S/C27H44O/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/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
GGCLNOIGPMGLDB-GYKMGIIDSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
118.05
TPSA
17.07

LogP / Solubility

WLOGP
7.6
MLOGP
6.71
XLogP3
8.2
Consensus LogP
7.5
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
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)
0.33

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
6.5

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