CAS RN: 61684-98-8
Benzenamine, 4-bromo-N-methyl-N-(1-methylethyl)-
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.20250920 | 50mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS61684-98-8
- Purity/Analytical Methods: >99.0%
61684-98-8 / 4-bromo-N-methyl-N-propan-2-ylaniline
Basic Information
CAS
61684-98-8
Multi CAS
No
Molecular Formula
BC10H14Rn
Molecular Weight
228.130000
Exact Mass
227.030960
InChI
InChI=1S/C10H14BrN/c1-8(2)12(3)10-6-4-9(11)5-7-10/h4-8H,1-3H3
InChIKey
IPTKGAPMKWJCKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
57.68
TPSA
3.24
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
3.5
Consensus LogP
3.23
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-1.77
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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