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CAS 24623-42-5 1,3-Dichloro-6,7-dimethoxyisoquinoline molecular structure lightbox
CAS RN: 24623-42-5

1,3-Dichloro-6,7-dimethoxyisoquinoline

  • Product code: SSC-119520
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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: ≥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 24623-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

24623-42-5 / 1,3-dichloro-6,7-dimethoxyisoquinoline

Standard CAS: 24623-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24623-42-5
Multi CAS
No
Molecular Formula
C11H9Cl2NO2
Molecular Weight
258.100000
Exact Mass
257.001034
SMILES
COC1=C(C=C2C(=C1)C=C(N=C2Cl)Cl)OC
InChI
InChI=1S/C11H9Cl2NO2/c1-15-8-3-6-4-10(12)14-11(13)7(6)5-9(8)16-2/h3-5H,1-2H3
InChIKey
PDJTYACMQQZNHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
64.87
TPSA
31.35

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
4
Consensus LogP
3.57
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly 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)
-1.77

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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