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CAS 24370-22-7 1H-Benzimidazol-2-amine,4-nitro-(9CI) molecular structure lightbox
CAS RN: 24370-22-7

1H-Benzimidazol-2-amine,4-nitro-(9CI)

  • Product code: SSC-118680
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 24370-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

24370-22-7 / 4-nitro-1H-benzimidazol-2-amine

Standard CAS: 24370-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24370-22-7
Multi CAS
No
Molecular Formula
C7H6N4O2
Molecular Weight
178.150000
Exact Mass
178.049075
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(N2)N
InChI
InChI=1S/C7H6N4O2/c8-7-9-4-2-1-3-5(11(12)13)6(4)10-7/h1-3H,(H3,8,9,10)
InChIKey
XESOPFLAXBXTSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.16
TPSA
97.84

LogP / Solubility

WLOGP
1.05
MLOGP
0.92
XLogP3
1
Consensus LogP
0.99
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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