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CAS 6305-95-9 1-(2-Chlorophenyl)acetone molecular structure lightbox
CAS RN: 6305-95-9

1-(2-Chlorophenyl)acetone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-172576
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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: 10g, 25g
  • Available purity: ≥96%
  • 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 6305-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥96% 0 Out of Stock Shanghai Inquiry
25g ≥96% 0 Out of Stock Shanghai Inquiry

6305-95-9 / 1-(2-chlorophenyl)propan-2-one

Standard CAS: 6305-95-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6305-95-9
Multi CAS
Yes
Molecular Formula
C9H9CLO
Molecular Weight
168.620000
Exact Mass
168.034193
InChI
InChI=1S/C9H9ClO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3
InChIKey
LWGNDIMNCPMZOF-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
45.84
TPSA
17.07

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
2.2
Consensus LogP
2.28
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-1.99

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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