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CAS 193746-75-7 SB242235 molecular structure lightbox
CAS RN: 193746-75-7

SB242235

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Batchno.20260215 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS193746-75-7
  • Purity/Analytical Methods: >99.0%
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193746-75-7 / 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine

Standard CAS: 193746-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193746-75-7
Multi CAS
No
Molecular Formula
C19H20FN5O
Molecular Weight
353.400000
Exact Mass
353.165188
SMILES
COC1=NC=CC(=N1)C2=C(N=CN2C3CCNCC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
InChIKey
PDTYLGXVBIWRIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
96.34
TPSA
64.86

LogP / Solubility

WLOGP
3.08
MLOGP
2.73
XLogP3
2.1
Consensus LogP
2.64
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

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

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