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CAS 22033-87-0 Olesoxime molecular structure lightbox
CAS RN: 22033-87-0

Olesoxime

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6 package records6 with current stock2 grade groups
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Batchno.20260516 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
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Batchno.20250424 100mg In stock Shanghai Inquiry
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Batchno.20250805 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS22033-87-0
  • Purity/Analytical Methods: >99.0%
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22033-87-0 / (NZ)-N-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine

Standard CAS: 22033-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22033-87-0
Multi CAS
No
Molecular Formula
C27H45NO
Molecular Weight
399.700000
Exact Mass
399.350115
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N\O)/CC[C@]34C)C
InChI
InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/b28-21-/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
QNTASHOAVRSLMD-FCARAQADSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
122.27
TPSA
32.59

LogP / Solubility

WLOGP
7.86
MLOGP
6.94
XLogP3
8.8
Consensus LogP
7.87
Log S (ESOL)
-6.94
Class (ESOL)
Insoluble
Log S (Ali)
-8.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.38
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.42

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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