CAS RN: 883801-90-9
2-(3-BROMOPHENYL)-N-T-BUTYLACETAMIDE
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.20260420 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS883801-90-9
- Purity/Analytical Methods: >99.0%
883801-90-9 / 2-(3-bromophenyl)-N-tert-butylacetamide
Basic Information
CAS
883801-90-9
Multi CAS
No
Molecular Formula
BC12H16ORn
Molecular Weight
270.170000
Exact Mass
269.041530
InChI
InChI=1S/C12H16BrNO/c1-12(2,3)14-11(15)8-9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3,(H,14,15)
InChIKey
SAYMAMMCRGZMPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.74
TPSA
29.1
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-2.3
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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