CAS RN: 1391423-76-9
(R)-1-(2-Bromopyridin-4-yl)ethanamine dihydrochloride
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.20250119 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391423-76-9
- Purity/Analytical Methods: >99.0%
1391423-76-9 / (1R)-1-(2-bromo-4-pyridinyl)ethanamine;dihydrochloride
Basic Information
CAS
1391423-76-9
Multi CAS
No
Molecular Formula
C7H11BrCl2N2
Molecular Weight
273.980000
Exact Mass
271.948270
SMILES
C[C@H](C1=CC(=NC=C1)Br)N.Cl.Cl
InChI
InChI=1S/C7H9BrN2.2ClH/c1-5(9)6-2-3-10-7(8)4-6;;/h2-5H,9H2,1H3;2*1H/t5-;;/m1../s1
InChIKey
UFFPOOKKWWDFDY-ZJIMSODOSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.04
TPSA
38.91
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
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
2
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