CAS RN: 1415257-60-1
1-(6-bromopyridin-2-yl)ethan-1-amine hydrochloride
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.20260327 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1415257-60-1
- Purity/Analytical Methods: >99.0%
1415257-60-1 / 1-(6-bromo-2-pyridinyl)ethanamine;hydrochloride
Basic Information
CAS
1415257-60-1
Multi CAS
No
Molecular Formula
C7H10BrClN2
Molecular Weight
237.520000
Exact Mass
235.971590
SMILES
CC(C1=NC(=CC=C1)Br)N.Cl
InChI
InChI=1S/C7H9BrN2.ClH/c1-5(9)6-3-2-4-7(8)10-6;/h2-5H,9H2,1H3;1H
InChIKey
RITFLBZVEWSGLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.79
TPSA
38.91
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
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
2
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