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CAS 85573-18-8 4-[[2-(4-hydroxy-3-methoxy-phenyl)benzimidazol-1-yl]methyl]-2-methoxy-phenol molecular structure lightbox
CAS RN: 85573-18-8

4-[[2-(4-hydroxy-3-methoxy-phenyl)benzimidazol-1-yl]methyl]-2-methoxy-phenol

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5 package records3 with current stock2 grade groups
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Batchno.20260426 100mg In stock Inquiry
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  • Product code: starshine_CAS85573-18-8
  • Purity/Analytical Methods: >99.0%
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85573-18-8 / 4-[[2-(4-hydroxy-3-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol

Standard CAS: 85573-18-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85573-18-8
Multi CAS
No
Molecular Formula
C22H20N2O4
Molecular Weight
376.400000
Exact Mass
376.142307
InChI
InChI=1S/C22H20N2O4/c1-27-20-11-14(7-9-18(20)25)13-24-17-6-4-3-5-16(17)23-22(24)15-8-10-19(26)21(12-15)28-2/h3-12,25-26H,13H2,1-2H3
InChIKey
SBVOOAOEAYENPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
21
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
107.15
TPSA
76.74

LogP / Solubility

WLOGP
4.18
MLOGP
3.7
XLogP3
3.9
Consensus LogP
3.93
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05

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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