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CAS 1231761-25-3 5-CHLOROISOQUINOLINE-1-CARBONITRILE molecular structure lightbox
CAS RN: 1231761-25-3

5-CHLOROISOQUINOLINE-1-CARBONITRILE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-026793
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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: 0.1g, 0.25g, 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 1231761-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1231761-25-3 / 5-chloroisoquinoline-1-carbonitrile

Standard CAS: 1231761-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1231761-25-3
Multi CAS
No
Molecular Formula
C10H5ClN2
Molecular Weight
188.610000
Exact Mass
188.014126
SMILES
C1=CC2=C(C=CN=C2C#N)C(=C1)Cl
InChI
InChI=1S/C10H5ClN2/c11-9-3-1-2-8-7(9)4-5-13-10(8)6-12/h1-5H
InChIKey
CEZFJHXSHFEQRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
51.47
TPSA
36.68

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
2.8
Consensus LogP
2.66
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-1.91

Drug-likeness / Medicinal Chemistry

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

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