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CAS 1064137-50-3 2,5-Dichloroquinoline-3-carbaldehyde molecular structure lightbox
CAS RN: 1064137-50-3

2,5-Dichloroquinoline-3-carbaldehyde

  • Product code: SSC-008084
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 1064137-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Shanghai Inquiry

1064137-50-3 / 2,5-dichloroquinoline-3-carbaldehyde

2,5-dichloroquinoline-3-carbaldehyde | MFCD22370818 | SCHEMBL1598188

Standard CAS: 1064137-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1064137-50-3
Multi CAS
No
Molecular Formula
C10H5Cl2NO
Molecular Weight
226.060000
Exact Mass
224.974819
SMILES
C1=CC2=C(C=C(C(=N2)Cl)C=O)C(=C1)Cl
InChI
InChI=1S/C10H5Cl2NO/c11-8-2-1-3-9-7(8)4-6(5-14)10(12)13-9/h1-5H
InChIKey
RDFSHUOAFWULQT-UHFFFAOYSA-N
Synonyms
2,5-dichloroquinoline-3-carbaldehyde MFCD22370818 SCHEMBL1598188 RDFSHUOAFWULQT-UHFFFAOYSA-N AC2831

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
57.15
TPSA
29.96

LogP / Solubility

WLOGP
3.35
MLOGP
2.95
XLogP3
3.2
Consensus LogP
3.17
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-1.72

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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