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CAS 673477-12-8 Benzamide, 2-amino-5-nitro-N-2-pyridinyl- (9CI) molecular structure lightbox
CAS RN: 673477-12-8

Benzamide, 2-amino-5-nitro-N-2-pyridinyl- (9CI)

  • Product code: SSC-177060
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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 673477-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

673477-12-8 / 2-amino-5-nitro-N-pyridin-2-ylbenzamide

Standard CAS: 673477-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
673477-12-8
Multi CAS
No
Molecular Formula
C12H10N4O3
Molecular Weight
258.230000
Exact Mass
258.075290
InChI
InChI=1S/C12H10N4O3/c13-10-5-4-8(16(18)19)7-9(10)12(17)15-11-3-1-2-6-14-11/h1-7H,13H2,(H,14,15,17)
InChIKey
NHSXXBMQFWNXCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
69.7
TPSA
111.15

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
1.7
Consensus LogP
1.71
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

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

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