CAS RN: 190588-40-0
2-(2,4,6-TRICHLOROPHENOXY)ACETOHYDRAZIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260307 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS190588-40-0
- Purity/Analytical Methods: >99.0%
190588-40-0 / 2-(2,4,6-trichlorophenoxy)acetohydrazide
Basic Information
CAS
190588-40-0
Multi CAS
No
Molecular Formula
C8H7Cl3N2O2
Molecular Weight
269.500000
Exact Mass
267.957311
SMILES
C1=C(C=C(C(=C1Cl)OCC(=O)NN)Cl)Cl
InChI
InChI=1S/C8H7Cl3N2O2/c9-4-1-5(10)8(6(11)2-4)15-3-7(14)13-12/h1-2H,3,12H2,(H,13,14)
InChIKey
VQKAUKMRXXSHLT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.3
TPSA
64.35
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
2.4
Consensus LogP
2.07
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
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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