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CAS 2007921-28-8 3-iodo-2-methyl-6-nitro-2H-indazole molecular structure lightbox
CAS RN: 2007921-28-8

3-iodo-2-methyl-6-nitro-2H-indazole

  • Product code: SSC-094740
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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: ＞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 2007921-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2007921-28-8 / 3-iodo-2-methyl-6-nitroindazole

Standard CAS: 2007921-28-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2007921-28-8
Multi CAS
No
Molecular Formula
C8H6IN3O2
Molecular Weight
303.060000
Exact Mass
302.950470
SMILES
CN1C(=C2C=CC(=CC2=N1)[N+](=O)[O-])I
InChI
InChI=1S/C8H6IN3O2/c1-11-8(9)6-3-2-5(12(13)14)4-7(6)10-11/h2-4H,1H3
InChIKey
ZPBLLEOYWPUJNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
60.09
TPSA
60.96

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09

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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