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CAS 480438-93-5 3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate molecular structure lightbox
CAS RN: 480438-93-5

3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate

  • Product code: SSC-155014
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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: 5g
  • 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 480438-93-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

480438-93-5 / 1-(3,5-dichloro-2-fluorophenyl)ethanone

Standard CAS: 480438-93-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
480438-93-5
Multi CAS
Yes
Molecular Formula
C8H5CL2FO
Molecular Weight
207.030000
Exact Mass
205.970148
InChI
InChI=1S/C8H5Cl2FO/c1-4(12)6-2-5(9)3-7(10)8(6)11/h2-3H,1H3
InChIKey
LVVYERCKCGWONQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.42
TPSA
17.07

LogP / Solubility

WLOGP
3.34
MLOGP
2.94
XLogP3
3
Consensus LogP
3.09
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-1.61

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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