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CAS 155790-01-5 (5-BROMO-4-METHYL-3-NITRO-PYRIDIN-2-YL)-METHYL-AMINE molecular structure lightbox
CAS RN: 155790-01-5

(5-BROMO-4-METHYL-3-NITRO-PYRIDIN-2-YL)-METHYL-AMINE

  • Product code: SSC-065053
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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: 5g
  • Available purity: ＞97%
  • 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 155790-01-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

155790-01-5 / 5-bromo-N,4-dimethyl-3-nitropyridin-2-amine

Standard CAS: 155790-01-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155790-01-5
Multi CAS
No
Molecular Formula
C7H8BrN3O2
Molecular Weight
246.060000
Exact Mass
244.979990
SMILES
CC1=C(C(=NC=C1Br)NC)[N+](=O)[O-]
InChI
InChI=1S/C7H8BrN3O2/c1-4-5(8)3-10-7(9-2)6(4)11(12)13/h3H,1-2H3,(H,9,10)
InChIKey
FUXNDASZVILVLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.88
TPSA
68.06

LogP / Solubility

WLOGP
2.1
MLOGP
1.86
XLogP3
2.6
Consensus LogP
2.19
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.73

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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