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CAS 129488-09-1 N-(1)-BOC-5-NITRO-INDAZOLE molecular structure lightbox
CAS RN: 129488-09-1

N-(1)-BOC-5-NITRO-INDAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 250mg / 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-036481
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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 129488-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

129488-09-1 / tert-butyl 5-nitroindazole-1-carboxylate

Standard CAS: 129488-09-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129488-09-1
Multi CAS
No
Molecular Formula
C12H13N3O4
Molecular Weight
263.250000
Exact Mass
263.090606
SMILES
CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C=N1
InChI
InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)14-10-5-4-9(15(17)18)6-8(10)7-13-14/h4-7H,1-3H3
InChIKey
YXAJFAVMXBRTMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
68.02
TPSA
87.26

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.7
Consensus LogP
2.61
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-2.39

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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