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CAS 93521-65-4 1H-BenziMidazole-2-carboxylic acid, 5-nitro-, Methyl ester molecular structure lightbox
CAS RN: 93521-65-4

1H-BenziMidazole-2-carboxylic acid, 5-nitro-, Methyl ester

  • Product code: SSC-207778
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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
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 93521-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

93521-65-4 / methyl 6-nitro-1H-benzimidazole-2-carboxylate

Standard CAS: 93521-65-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93521-65-4
Multi CAS
Yes
Molecular Formula
C9H7N3O4
Molecular Weight
221.170000
Exact Mass
221.043656
InChI
InChI=1S/C9H7N3O4/c1-16-9(13)8-10-6-3-2-5(12(14)15)4-7(6)11-8/h2-4H,1H3,(H,10,11)
InChIKey
YXDYHFYQRLFAFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.09
TPSA
98.12

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
1.5
Consensus LogP
1.29
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-3.18

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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