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CAS 430470-84-1 1-BUTYL-1H-BENZIMIDAZOLE-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 430470-84-1

1-BUTYL-1H-BENZIMIDAZOLE-2-CARBALDEHYDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS430470-84-1
  • Purity/Analytical Methods: >99.0%
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430470-84-1 / 1-butylbenzimidazole-2-carbaldehyde

Standard CAS: 430470-84-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
430470-84-1
Multi CAS
No
Molecular Formula
C12H14N2O
Molecular Weight
202.250000
Exact Mass
202.110613
InChI
InChI=1S/C12H14N2O/c1-2-3-8-14-11-7-5-4-6-10(11)13-12(14)9-15/h4-7,9H,2-3,8H2,1H3
InChIKey
XCCVBLAZECLPMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
60.03
TPSA
34.89

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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