CAS RN: 773887-07-3
4-broMo-2-isopropyl-6-Methylaniline
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.20250126 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS773887-07-3
- Purity/Analytical Methods: >99.0%
773887-07-3 / 4-bromo-2-methyl-6-propan-2-ylaniline
Basic Information
CAS
773887-07-3
Multi CAS
No
Molecular Formula
BC10H14Rn
Molecular Weight
228.130000
Exact Mass
227.030960
InChI
InChI=1S/C10H14BrN/c1-6(2)9-5-8(11)4-7(3)10(9)12/h4-6H,12H2,1-3H3
InChIKey
XKTRKTMBDOICQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.38
TPSA
26.02
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
3.4
Consensus LogP
3.3
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65
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
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