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CAS 68120-72-9 1-(3,4-DICHLORO-PHENYL)-PENTAN-1-ONE molecular structure lightbox
CAS RN: 68120-72-9

1-(3,4-DICHLORO-PHENYL)-PENTAN-1-ONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250305 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-177839
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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: 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 68120-72-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

68120-72-9 / 1-(3,4-dichlorophenyl)pentan-1-one

Standard CAS: 68120-72-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68120-72-9
Multi CAS
No
Molecular Formula
C11H12CL2O
Molecular Weight
231.110000
Exact Mass
230.026520
InChI
InChI=1S/C11H12Cl2O/c1-2-3-4-11(14)8-5-6-9(12)10(13)7-8/h5-7H,2-4H2,1H3
InChIKey
DAQIQOIKLVJWKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
60.32
TPSA
17.07

LogP / Solubility

WLOGP
4.37
MLOGP
3.85
XLogP3
4.4
Consensus LogP
4.21
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.03

Drug-likeness / Medicinal Chemistry

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

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