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CAS 1245645-97-9 4-Chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine molecular structure lightbox
CAS RN: 1245645-97-9

4-Chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260412 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-028466
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1245645-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Shanghai Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

1245645-97-9 / 4-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine

Standard CAS: 1245645-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1245645-97-9
Multi CAS
No
Molecular Formula
C7H4ClN3O2
Molecular Weight
197.580000
Exact Mass
196.999204
SMILES
C1=CNC2=NC=C(C(=C21)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H4ClN3O2/c8-6-4-1-2-9-7(4)10-3-5(6)11(12)13/h1-3H,(H,9,10)
InChIKey
WOFUUJSVPQZPIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.76
TPSA
71.82

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

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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