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CAS 220495-52-3 Benzoic acid, 4-(1H-benzimidazol-1-yl)- molecular structure lightbox
CAS RN: 220495-52-3

Benzoic acid, 4-(1H-benzimidazol-1-yl)-

  • Product code: SSC-106062
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 220495-52-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

220495-52-3 / 4-(benzimidazol-1-yl)benzoic acid

Standard CAS: 220495-52-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220495-52-3
Multi CAS
No
Molecular Formula
C14H10N2O2
Molecular Weight
238.240000
Exact Mass
238.074228
SMILES
C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C14H10N2O2/c17-14(18)10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16/h1-9H,(H,17,18)
InChIKey
LVTAQCOHWAZNAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.03
TPSA
55.12

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.6
Consensus LogP
2.57
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.24

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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