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CAS 6595-08-0 1H-Benzimidazole,1-methoxy-(9CI) molecular structure lightbox
CAS RN: 6595-08-0

1H-Benzimidazole,1-methoxy-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS6595-08-0
  • Purity/Analytical Methods: >99.0%
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6595-08-0 / 1-methoxybenzimidazole

Standard CAS: 6595-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6595-08-0
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
InChI
InChI=1S/C8H8N2O/c1-11-10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKey
RBGGMTQEVZWWLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.24
TPSA
27.05

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
1.8
Consensus LogP
1.28
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-2.85

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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