![CAS 57213-69-1 [(3,5,6-trichloro-2-pyridyl)oxy]acetic acid, compound with triethylamine (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57213-69-1.gif)
CAS RN: 57213-69-1
[(3,5,6-trichloro-2-pyridyl)oxy]acetic acid, compound with triethylamine (1:1)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250224 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS57213-69-1
- Purity/Analytical Methods: >99.0%
57213-69-1 / N,N-diethylethanamine;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid
Basic Information
CAS
57213-69-1
Multi CAS
Yes
Molecular Formula
C13H19CL3N2O3
Molecular Weight
357.700000
Exact Mass
356.046126
InChI
InChI=1S/C7H4Cl3NO3.C6H15N/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;1-4-7(5-2)6-3/h1H,2H2,(H,12,13);4-6H2,1-3H3
InChIKey
ROKVVMOXSZIDEG-UHFFFAOYSA-N
Physical Properties
Physical Description
Triclopyr triethylammonium salt is a colorless to amber liquid.
Colorless to amber liquid; [CAMEO] Grayish-white solid; Formulated as soluble and emulsifiable concentrates, liquid, granular, formulation intermediate, wettable powder, and pellets; [Reference #1]
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.86
TPSA
62.66
LogP / Solubility
WLOGP
3.85
MLOGP
3.41
XLogP3
3.85
Consensus LogP
3.7
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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