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CAS 151222-57-0 5-Chloronaphthalene-1-carboxaldehyde molecular structure lightbox
CAS RN: 151222-57-0

5-Chloronaphthalene-1-carboxaldehyde

  • Product code: SSC-061105
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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: 0.25g, 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 151222-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

151222-57-0 / 5-chloronaphthalene-1-carbaldehyde

Standard CAS: 151222-57-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151222-57-0
Multi CAS
No
Molecular Formula
C11H7ClO
Molecular Weight
190.620000
Exact Mass
190.018543
SMILES
C1=CC(=C2C=CC=C(C2=C1)Cl)C=O
InChI
InChI=1S/C11H7ClO/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h1-7H
InChIKey
ZKTLLQZEGPAYNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.35
TPSA
17.07

LogP / Solubility

WLOGP
3.31
MLOGP
2.91
XLogP3
3.5
Consensus LogP
3.24
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.54

Drug-likeness / Medicinal Chemistry

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

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