CAS RN: 893420-19-4
4-Bromo-2-chloro-N,N-dimethylbenzamide
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.20260207 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS893420-19-4
- Purity/Analytical Methods: >99.0%
893420-19-4 / 4-bromo-2-chloro-N,N-dimethylbenzamide
Basic Information
CAS
893420-19-4
Multi CAS
No
Molecular Formula
C9H9BRCLNO
Molecular Weight
262.530000
Exact Mass
260.955600
InChI
InChI=1S/C9H9BrClNO/c1-12(2)9(13)7-4-3-6(10)5-8(7)11/h3-5H,1-2H3
InChIKey
HSQMINPBVRQTMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.17
TPSA
20.31
LogP / Solubility
WLOGP
2.8
MLOGP
2.48
XLogP3
2.7
Consensus LogP
2.66
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.33
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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