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CAS 4511-19-7 2,4,6-Trichlorophenyl chloroformate molecular structure lightbox
CAS RN: 4511-19-7

2,4,6-Trichlorophenyl chloroformate

  • Product code: SSC-152944
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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: ≥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 4511-19-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

4511-19-7 / (2,4,6-trichlorophenyl) carbonochloridate

Standard CAS: 4511-19-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4511-19-7
Multi CAS
No
Molecular Formula
C7H2CL4O2
Molecular Weight
259.900000
Exact Mass
259.877940
InChI
InChI=1S/C7H2Cl4O2/c8-3-1-4(9)6(5(10)2-3)13-7(11)12/h1-2H
InChIKey
KUZDOAWPCGDGRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.35
TPSA
26.3

LogP / Solubility

WLOGP
4.38
MLOGP
3.87
XLogP3
4.9
Consensus LogP
4.38
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
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)
-1.19

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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