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CAS 401900-40-1 Andarine molecular structure lightbox
CAS RN: 401900-40-1

Andarine

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5 package records4 with current stock2 grade groups
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Batchno.20250802 1ml In stock Inquiry
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  • Product code: ICTA3182
  • Purity/Analytical Methods: >98.0%(HPLC)
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401900-40-1 / (2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

Standard CAS: 401900-40-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
401900-40-1
Multi CAS
Yes
Molecular Formula
C19F3H18N3O6
Molecular Weight
441.400000
Exact Mass
441.114770
InChI
InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
InChIKey
YVXVTLGIDOACBJ-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
103.59
TPSA
130.8

LogP / Solubility

WLOGP
3.34
MLOGP
2.97
XLogP3
2.2
Consensus LogP
2.84
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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