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CAS 1203579-27-4 7-Chloro-1-iodo-2-azanaphthalene molecular structure lightbox
CAS RN: 1203579-27-4

7-Chloro-1-iodo-2-azanaphthalene

  • Product code: SSC-021226
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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 1203579-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1203579-27-4 / 7-chloro-1-iodoisoquinoline

7-Chloro-1-iodoisoquinoline | MFCD14702501 | 7-chloro-1-iodo-isoquinoline

Standard CAS: 1203579-27-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1203579-27-4
Multi CAS
No
Molecular Formula
C9H5ClIN
Molecular Weight
289.500000
Exact Mass
288.915520
SMILES
C1=CC(=CC2=C1C=CN=C2I)Cl
InChI
InChI=1S/C9H5ClIN/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H
InChIKey
QZUCJZYCKDYKDZ-UHFFFAOYSA-N
Synonyms
7-Chloro-1-iodoisoquinoline MFCD14702501 7-chloro-1-iodo-isoquinoline 7-Chloro-1-iodo-2-azanaphthalene SY070723

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
59.47
TPSA
12.89

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.4
Consensus LogP
3.32
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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