CAS RN: 76016-35-8
N,N-Dimethyl2-(2-bromophenyl)acetamide
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.20260610 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS76016-35-8
- Purity/Analytical Methods: >99.0%
76016-35-8 / 2-(2-bromophenyl)-N,N-dimethylacetamide
Basic Information
CAS
76016-35-8
Multi CAS
No
Molecular Formula
BC10H12ORn
Molecular Weight
242.110000
Exact Mass
241.010230
InChI
InChI=1S/C10H12BrNO/c1-12(2)10(13)7-8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3
InChIKey
BYABPBCYOWJRGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
56.54
TPSA
20.31
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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