![CAS 329931-03-5 ETHYL 2-[(2,6-DICHLOROBENZOYL)AMINO]ACETATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4229757(1).gif)
CAS RN: 329931-03-5
ETHYL 2-[(2,6-DICHLOROBENZOYL)AMINO]ACETATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260510 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS329931-03-5
- Purity/Analytical Methods: >99.0%
329931-03-5 / ethyl 2-[(2,6-dichlorobenzoyl)amino]acetate
Basic Information
CAS
329931-03-5
Multi CAS
No
Molecular Formula
C11H11CL2NO3
Molecular Weight
276.110000
Exact Mass
275.011599
InChI
InChI=1S/C11H11Cl2NO3/c1-2-17-9(15)6-14-11(16)10-7(12)4-3-5-8(10)13/h3-5H,2,6H2,1H3,(H,14,16)
InChIKey
JSKAWULWNFPKLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.43
TPSA
55.4
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.7
Consensus LogP
2.34
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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