CAS RN: 932191-62-3

4-(2-Furanyl)-4,10-dihydro-2-methylpyrimido[1,2-a]benzimidazole-3-carboxylic acid-1-methylethyl ester

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  • Product code: starshine_CAS932191-62-3
  • Purity/Analytical Methods: >99.0%
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932191-62-3 / propan-2-yl 4-(furan-2-yl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Standard CAS: 932191-62-3 Multi CAS: Yes

Basic Information

CAS
932191-62-3
Multi CAS
Yes
Molecular Formula
C19H19N3O3
Molecular Weight
337.400000
Exact Mass
337.142641
InChI
InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-24-15/h4-11,17H,1-3H3,(H,20,21)
InChIKey
NYHLRBMDXQBOIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
14
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
94.13
TPSA
69.29

LogP / Solubility

WLOGP
3.87
MLOGP
3.42
XLogP3
3.4
Consensus LogP
3.56
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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