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CAS 14123-76-3 6-Chloro-3-methylisoquinoline molecular structure lightbox
CAS RN: 14123-76-3

6-Chloro-3-methylisoquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-051634
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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 14123-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

14123-76-3 / 6-chloro-3-methylisoquinoline

Standard CAS: 14123-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14123-76-3
Multi CAS
No
Molecular Formula
C10H8ClN
Molecular Weight
177.630000
Exact Mass
177.034527
SMILES
CC1=CC2=C(C=CC(=C2)Cl)C=N1
InChI
InChI=1S/C10H8ClN/c1-7-4-9-5-10(11)3-2-8(9)6-12-7/h2-6H,1H3
InChIKey
VLPNHJHAQSABQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
51.49
TPSA
12.89

LogP / Solubility

WLOGP
3.2
MLOGP
2.81
XLogP3
3.3
Consensus LogP
3.1
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-1.53

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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