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CAS 22415-24-3 (13α,14β,17S,20S,21R,23R,24S)-21,23:24,25-Diepoxy5α-lanost-7-ene-3α,21-diol 3-acetate molecular structure lightbox
CAS RN: 22415-24-3

(13α,14β,17S,20S,21R,23R,24S)-21,23:24,25-Diepoxy5α-lanost-7-ene-3α,21-diol 3-acetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250130 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS22415-24-3
  • Purity/Analytical Methods: >99.0%
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22415-24-3 / [(3R,5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Standard CAS: 22415-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22415-24-3
Multi CAS
No
Molecular Formula
C32H50O5
Molecular Weight
514.700000
Exact Mass
514.365825
SMILES
CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H](CC[C@@]4(C3=CC[C@H]2C1(C)C)C)[C@@H]5C[C@@H](O[C@H]5O)[C@H]6C(O6)(C)C)C)C
InChI
InChI=1S/C32H50O5/c1-18(33)35-25-13-14-30(6)21-12-16-31(7)20(19-17-23(36-27(19)34)26-29(4,5)37-26)11-15-32(31,8)22(21)9-10-24(30)28(25,2)3/h9,19-21,23-27,34H,10-17H2,1-8H3/t19-,20-,21-,23+,24-,25+,26-,27+,30+,31-,32+/m0/s1
InChIKey
LZXAHLRMHMCWBP-CJFZJSPJSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
142.47
TPSA
68.29

LogP / Solubility

WLOGP
6.42
MLOGP
5.69
XLogP3
6.6
Consensus LogP
6.24
Log S (ESOL)
-6.88
Class (ESOL)
Insoluble
Log S (Ali)
-8.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.7
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)
-1.3

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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