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CAS 58842-61-8 1H-Benzimidazole-5-carboxylicacid,ethylester(9CI) molecular structure lightbox
CAS RN: 58842-61-8

1H-Benzimidazole-5-carboxylicacid,ethylester(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS58842-61-8
  • Purity/Analytical Methods: >99.0%
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58842-61-8 / ethyl 3H-benzimidazole-5-carboxylate

Standard CAS: 58842-61-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58842-61-8
Multi CAS
Yes
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)7-3-4-8-9(5-7)12-6-11-8/h3-6H,2H2,1H3,(H,11,12)
InChIKey
HUOIDCCHUGUZQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.05
TPSA
54.98

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
2
Consensus LogP
1.76
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

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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