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CAS 14678-78-5 5-(1H-BENZOIMIDAZOL-2-YL)-PENTANOIC ACID molecular structure lightbox
CAS RN: 14678-78-5

5-(1H-BENZOIMIDAZOL-2-YL)-PENTANOIC ACID

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251209 50mg / 250mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250905 1g In stock Shanghai Inquiry
Batchno.20250127 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS14678-78-5
  • Purity/Analytical Methods: >99.0%
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14678-78-5 / 5-(1H-benzimidazol-2-yl)pentanoic acid

Standard CAS: 14678-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14678-78-5
Multi CAS
No
Molecular Formula
C12H14N2O2
Molecular Weight
218.250000
Exact Mass
218.105528
SMILES
C1=CC=C2C(=C1)NC(=N2)CCCCC(=O)O
InChI
InChI=1S/C12H14N2O2/c15-12(16)8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7-8H2,(H,13,14)(H,15,16)
InChIKey
NVXHPONACTZBEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.28
TPSA
65.98

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
1.8
Consensus LogP
2.08
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.38

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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