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CAS 53065-95-5 2-CHLORO-1-(3,4-DICHLORO-PHENYL)-ETHANOL molecular structure lightbox
CAS RN: 53065-95-5

2-CHLORO-1-(3,4-DICHLORO-PHENYL)-ETHANOL

  • Product code: SSC-160246
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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: 0.25g
  • 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 53065-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

53065-95-5 / 2-chloro-1-(3,4-dichlorophenyl)ethanol

Standard CAS: 53065-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53065-95-5
Multi CAS
No
Molecular Formula
C8H7CL3O
Molecular Weight
225.500000
Exact Mass
223.956248
InChI
InChI=1S/C8H7Cl3O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,12H,4H2
InChIKey
LKALNWLBXMXTJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.14
TPSA
20.23

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
3.5
Consensus LogP
3.22
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-1.78

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
2

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