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CAS 24786-76-3 methyl 3-(1-methyl-1H-benzo[d]imidazol-2-yl)propanoate molecular structure lightbox
CAS RN: 24786-76-3

methyl 3-(1-methyl-1H-benzo[d]imidazol-2-yl)propanoate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250628 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24786-76-3
  • Purity/Analytical Methods: >99.0%
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24786-76-3 / methyl 3-(1-methylbenzimidazol-2-yl)propanoate

Standard CAS: 24786-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24786-76-3
Multi CAS
No
Molecular Formula
C12H14N2O2
Molecular Weight
218.250000
Exact Mass
218.105528
InChI
InChI=1S/C12H14N2O2/c1-14-10-6-4-3-5-9(10)13-11(14)7-8-12(15)16-2/h3-6H,7-8H2,1-2H3
InChIKey
HQMDSKPJSFGGCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
61.05
TPSA
44.12

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.6
Consensus LogP
1.59
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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