CAS RN: 771581-39-6
(5-bromo-2-iodophenyl)methanamine
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.20260425 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS771581-39-6
- Purity/Analytical Methods: >99.0%
771581-39-6 / (5-bromo-2-iodophenyl)methanamine
Basic Information
CAS
771581-39-6
Multi CAS
No
Molecular Formula
C7H7BRIN
Molecular Weight
311.950000
Exact Mass
310.880660
InChI
InChI=1S/C7H7BrIN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey
TUWVJRJRUGHRGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.75
TPSA
26.02
LogP / Solubility
WLOGP
2.51
MLOGP
2.22
XLogP3
2.1
Consensus LogP
2.28
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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