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CAS 23612-35-3 3-NITRO-5-AZAINDOLE molecular structure lightbox
CAS RN: 23612-35-3

3-NITRO-5-AZAINDOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250115 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-114914
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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: ≥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 23612-35-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

23612-35-3 / 3-nitro-1H-pyrrolo[2,3-c]pyridine

Standard CAS: 23612-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23612-35-3
Multi CAS
No
Molecular Formula
C7H5N3O2
Molecular Weight
163.130000
Exact Mass
163.038176
SMILES
C1=CN=CC2=C1C(=CN2)[N+](=O)[O-]
InChI
InChI=1S/C7H5N3O2/c11-10(12)7-4-9-6-3-8-2-1-5(6)7/h1-4,9H
InChIKey
ZMNWUNQKJMZXJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.75
TPSA
71.82

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
0.8
Consensus LogP
1.19
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-2.67

Drug-likeness / Medicinal Chemistry

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

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