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CAS 1571-87-5 2-(4-Chlorophenyl)-5-nitrobenziMidazole molecular structure lightbox
CAS RN: 1571-87-5

2-(4-Chlorophenyl)-5-nitrobenziMidazole

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250812 100mg In stock Inquiry
Batchno.20251128 250mg In stock Inquiry
Batchno.20260111 25mg In stock Inquiry
  • Product code: SSC-066262
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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
  • Available purity: >95%
  • 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 1571-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Beijing Inquiry

1571-87-5 / 2-(4-chlorophenyl)-6-nitro-1H-benzimidazole

Standard CAS: 1571-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1571-87-5
Multi CAS
No
Molecular Formula
C13H8ClN3O2
Molecular Weight
273.670000
Exact Mass
273.030504
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H8ClN3O2/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13/h1-7H,(H,15,16)
InChIKey
KJXNOHLXULKUIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.19
TPSA
71.82

LogP / Solubility

WLOGP
3.79
MLOGP
3.35
XLogP3
4
Consensus LogP
3.71
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7

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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