CAS RN: 25140-90-3
2-(2,6-Dichlorophenoxy)propanoic 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.20260205 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS25140-90-3
- Purity/Analytical Methods: >99.0%
25140-90-3 / 2-(2,6-dichlorophenoxy)propanoic acid
Basic Information
CAS
25140-90-3
Multi CAS
No
Molecular Formula
C9H8Cl2O3
Molecular Weight
235.060000
Exact Mass
233.985050
SMILES
CC(C(=O)O)OC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-6(10)3-2-4-7(8)11/h2-5H,1H3,(H,12,13)
InChIKey
JTSKVVDMNKQPAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.19
TPSA
46.53
LogP / Solubility
WLOGP
2.85
MLOGP
2.51
XLogP3
3.1
Consensus LogP
2.82
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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