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CAS 5805-52-7 1H-Benzimidazole-2-carboxamide(9CI) molecular structure lightbox
CAS RN: 5805-52-7

1H-Benzimidazole-2-carboxamide(9CI)

  • Product code: SSC-166260
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 5805-52-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
0.1g >95% 3 In Stock Shanghai Inquiry
0.25g >95% 3 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

5805-52-7 / 1H-benzimidazole-2-carboxamide

Standard CAS: 5805-52-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5805-52-7
Multi CAS
No
Molecular Formula
C8H7N3O
Molecular Weight
161.160000
Exact Mass
161.058912
InChI
InChI=1S/C8H7N3O/c9-7(12)8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H2,9,12)(H,10,11)
InChIKey
XIZCDQOKKYYCRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.61
TPSA
71.77

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.5
Consensus LogP
0.58
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

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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