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CAS 1956389-95-9 1,7-Naphthyridine-3-carboxaldehyde, 8-chloro- molecular structure lightbox
CAS RN: 1956389-95-9

1,7-Naphthyridine-3-carboxaldehyde, 8-chloro-

  • Product code: SSC-092530
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1956389-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry

1956389-95-9 / 8-chloro-1,7-naphthyridine-3-carbaldehyde

Standard CAS: 1956389-95-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956389-95-9
Multi CAS
No
Molecular Formula
C9H5ClN2O
Molecular Weight
192.600000
Exact Mass
192.009041
SMILES
C1=CN=C(C2=NC=C(C=C21)C=O)Cl
InChI
InChI=1S/C9H5ClN2O/c10-9-8-7(1-2-11-9)3-6(5-13)4-12-8/h1-5H
InChIKey
WYJWDDNBYNHNPQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.94
TPSA
42.85

LogP / Solubility

WLOGP
2.1
MLOGP
1.84
XLogP3
1.5
Consensus LogP
1.81
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-2.41

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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