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CAS 6285-05-8 4′-Chloropropiophenone molecular structure lightbox
CAS RN: 6285-05-8

4′-Chloropropiophenone

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 5g In stock Shanghai Inquiry
  • Product code: SSC-172221
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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: 25g, 100g
  • Available purity: >97%
  • 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 6285-05-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

6285-05-8 / 1-(4-chlorophenyl)propan-1-one

Standard CAS: 6285-05-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6285-05-8
Multi CAS
Yes
Molecular Formula
C9H9CLO
Molecular Weight
168.620000
Exact Mass
168.034193
InChI
InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey
ADCYRBXQAJXJTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
46.07
TPSA
17.07

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
3
Consensus LogP
2.84
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-1.67

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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