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CAS 10296-47-6 3-CHLORO-5-NITROISOQUINOLINE molecular structure lightbox
CAS RN: 10296-47-6

3-CHLORO-5-NITROISOQUINOLINE

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 100mg In stock Inquiry
Batchno.20250806 1g In stock Inquiry
Batchno.20260506 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-004305
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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 10296-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

10296-47-6 / 3-chloro-5-nitroisoquinoline

3-CHLORO-5-NITROISOQUINOLINE | DTXSID80587788 | RefChem:278428

Standard CAS: 10296-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10296-47-6
Multi CAS
No
Molecular Formula
C9H5ClN2O2
Molecular Weight
208.600000
Exact Mass
208.003955
SMILES
C1=CC2=CN=C(C=C2C(=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H5ClN2O2/c10-9-4-7-6(5-11-9)2-1-3-8(7)12(13)14/h1-5H
InChIKey
NPORMNSYOVFNQW-UHFFFAOYSA-N
Synonyms
3-CHLORO-5-NITROISOQUINOLINE DTXSID80587788 RefChem:278428 DTXCID20538552 MFCD09999239

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.41
TPSA
56.03

LogP / Solubility

WLOGP
2.8
MLOGP
2.46
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

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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