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CAS 177477-89-3 1H-Benzimidazol-4-ol,2-methoxy-1-methyl-(9CI) molecular structure lightbox
CAS RN: 177477-89-3

1H-Benzimidazol-4-ol,2-methoxy-1-methyl-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250622 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS177477-89-3
  • Purity/Analytical Methods: >99.0%
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177477-89-3 / 2-methoxy-1-methylbenzimidazol-4-ol

Standard CAS: 177477-89-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
177477-89-3
Multi CAS
No
Molecular Formula
C9H10N2O2
Molecular Weight
178.190000
Exact Mass
178.074228
SMILES
CN1C2=C(C(=CC=C2)O)N=C1OC
InChI
InChI=1S/C9H10N2O2/c1-11-6-4-3-5-7(12)8(6)10-9(11)13-2/h3-5,12H,1-2H3
InChIKey
LPVCJEUTLDSCRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.93
TPSA
47.28

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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