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CAS 40736-33-2 3-keto-23,24-bisnorchol-4-en-22-ol molecular structure lightbox
CAS RN: 40736-33-2

3-keto-23,24-bisnorchol-4-en-22-ol

  • Product code: SSC-149067
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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, 1g, 5g, 10g, 25g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 40736-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 3 In Stock Hong Kong Inquiry
10g >97% 3 In Stock Shanghai Inquiry
25g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry

40736-33-2 / (8S,9S,10R,13S,14S,17R)-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Standard CAS: 40736-33-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40736-33-2
Multi CAS
Yes
Molecular Formula
C22H34O2
Molecular Weight
330.500000
Exact Mass
330.255880
InChI
InChI=1S/C22H34O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20,23H,4-11,13H2,1-3H3/t14-,17+,18-,19+,20+,21+,22-/m1/s1
InChIKey
ZNWOYQVXPIEQRC-HOFZUOGSSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
96.45
TPSA
37.3

LogP / Solubility

WLOGP
4.76
MLOGP
4.21
XLogP3
4.7
Consensus LogP
4.56
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
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)
-1.35

Drug-likeness / Medicinal Chemistry

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

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