CAS RN: 205320-02-1
4-chloro-N,2-dimethoxy-N-methylbenzamide
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.20260616 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS205320-02-1
- Purity/Analytical Methods: >99.0%
205320-02-1 / 4-chloro-N,2-dimethoxy-N-methylbenzamide
Basic Information
CAS
205320-02-1
Multi CAS
No
Molecular Formula
C10H12ClNO3
Molecular Weight
229.660000
Exact Mass
229.050571
SMILES
CN(C(=O)C1=C(C=C(C=C1)Cl)OC)OC
InChI
InChI=1S/C10H12ClNO3/c1-12(15-3)10(13)8-5-4-7(11)6-9(8)14-2/h4-6H,1-3H3
InChIKey
FBQWJRHUICABKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
57.11
TPSA
38.77
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
