CAS RN: 2257-35-4
TRICHLOROACRYLIC ACID
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.20250313 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2257-35-4
- Purity/Analytical Methods: >99.0%
2257-35-4 / 2,3,3-trichloroprop-2-enoic acid
Basic Information
CAS
2257-35-4
Multi CAS
No
Molecular Formula
C3HCl3O2
Molecular Weight
175.390000
Exact Mass
173.904212
SMILES
C(=C(Cl)Cl)(C(=O)O)Cl
InChI
InChI=1S/C3HCl3O2/c4-1(2(5)6)3(7)8/h(H,7,8)
InChIKey
WMUBNWIGNSIRDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.22
TPSA
37.3
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
2.3
Consensus LogP
1.99
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately 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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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