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CAS 51867-94-8 9-methylstreptimidone molecular structure lightbox
CAS RN: 51867-94-8

9-methylstreptimidone

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Batchno.20250330 1mg Out of stock Inquiry
  • Product code: starshine_CAS51867-94-8
  • Purity/Analytical Methods: >99.0%
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51867-94-8 / 4-(2-hydroxy-5,7-dimethyl-4-oxodeca-6,8-dienyl)piperidine-2,6-dione

Standard CAS: 51867-94-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51867-94-8
Multi CAS
Yes
Molecular Formula
C17H25NO4
Molecular Weight
307.400000
Exact Mass
307.178358
InChI
InChI=1S/C17H25NO4/c1-4-5-11(2)6-12(3)15(20)10-14(19)7-13-8-16(21)18-17(22)9-13/h4-6,12-14,19H,7-10H2,1-3H3,(H,18,21,22)/b5-4-,11-6+/t12-,14+/m0/s1
InChIKey
ATUBIBZJAGAIBW-WGEALTPQSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.59
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.86
TPSA
83.47

LogP / Solubility

WLOGP
1.91
MLOGP
1.69
XLogP3
1.4
Consensus LogP
1.67
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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