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CAS 35857-66-0 3-CHLORO-1-(3,4-DICHLOROPHENYL)-1-PROPANONE molecular structure lightbox
CAS RN: 35857-66-0

3-CHLORO-1-(3,4-DICHLOROPHENYL)-1-PROPANONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-142925
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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: ＞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 35857-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

35857-66-0 / 3-chloro-1-(3,4-dichlorophenyl)propan-1-one

Standard CAS: 35857-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35857-66-0
Multi CAS
No
Molecular Formula
C9H7CL3O
Molecular Weight
237.500000
Exact Mass
235.956248
InChI
InChI=1S/C9H7Cl3O/c10-4-3-9(13)6-1-2-7(11)8(12)5-6/h1-2,5H,3-4H2
InChIKey
ULARDXFALKMJAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
56.13
TPSA
17.07

LogP / Solubility

WLOGP
3.81
MLOGP
3.35
XLogP3
3.6
Consensus LogP
3.59
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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