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CAS 51069-75-1 4-chloro-6-methylchromen-2-one molecular structure lightbox
CAS RN: 51069-75-1

4-chloro-6-methylchromen-2-one

  • Product code: SSC-157840
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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: 1g, 0.25g, 5g, 0.1g
  • 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 51069-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

51069-75-1 / 4-chloro-6-methylchromen-2-one

Standard CAS: 51069-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51069-75-1
Multi CAS
No
Molecular Formula
C10H7CLO2
Molecular Weight
194.610000
Exact Mass
194.013457
InChI
InChI=1S/C10H7ClO2/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5H,1H3
InChIKey
GTUCZSVDWDNQHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
52.23
TPSA
30.21

LogP / Solubility

WLOGP
2.75
MLOGP
2.42
XLogP3
2.6
Consensus LogP
2.59
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-1.95

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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