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CAS 78790-82-6 1-(3-CHLORO-PYRIDIN-4-YL)-ETHANONE molecular structure lightbox
CAS RN: 78790-82-6

1-(3-CHLORO-PYRIDIN-4-YL)-ETHANONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-188114
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 78790-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Shanghai Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry

78790-82-6 / 1-(3-chloro-4-pyridinyl)ethanone

Standard CAS: 78790-82-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78790-82-6
Multi CAS
No
Molecular Formula
C7H6CLNO
Molecular Weight
155.580000
Exact Mass
155.013792
InChI
InChI=1S/C7H6ClNO/c1-5(10)6-2-3-9-4-7(6)8/h2-4H,1H3
InChIKey
USENXBJIUNFKAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.25
TPSA
29.96

LogP / Solubility

WLOGP
1.94
MLOGP
1.7
XLogP3
1.2
Consensus LogP
1.61
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

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

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