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CAS 37785-57-2 Potassium 2,4,5-Trichlorophenoxyacetate molecular structure lightbox
CAS RN: 37785-57-2

Potassium 2,4,5-Trichlorophenoxyacetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 1g / 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: ICTT1509
  • Purity/Analytical Methods: >98.0%(T)
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37785-57-2 / potassium 2-(2,4,5-trichlorophenoxy)acetate

Standard CAS: 37785-57-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37785-57-2
Multi CAS
Yes
Molecular Formula
C8H4CL3KO3
Molecular Weight
293.600000
Exact Mass
291.886309
InChI
InChI=1S/C8H5Cl3O3.K/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;/h1-2H,3H2,(H,12,13);/q;+1/p-1
InChIKey
LUDUIQAQFKIYND-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
51.97
TPSA
49.36

LogP / Solubility

WLOGP
-1.22
MLOGP
-1.06
XLogP3
-1.22
Consensus LogP
-1.17
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-5.38

Drug-likeness / Medicinal Chemistry

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

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