CAS RN: 120740-05-8
(6-Bromo-pyridin-3-ylmethyl)-ethyl-amine
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.20260430 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS120740-05-8
- Purity/Analytical Methods: >99.0%
120740-05-8 / N-[(6-bromo-3-pyridinyl)methyl]ethanamine
N-((6-Bromopyridin-3-yl)methyl)ethanamine | (6-Bromo-pyridin-3-ylmethyl)-ethyl-amine | N-[(6-Bromopyridin-3-yl)methyl]ethanamine
Basic Information
CAS
120740-05-8
Multi CAS
No
Molecular Formula
C8H11BrN2
Molecular Weight
215.090000
Exact Mass
214.010560
SMILES
CCNCC1=CN=C(C=C1)Br
InChI
InChI=1S/C8H11BrN2/c1-2-10-5-7-3-4-8(9)11-6-7/h3-4,6,10H,2,5H2,1H3
InChIKey
BFLXSKZTPUZOCG-UHFFFAOYSA-N
Synonyms
N-((6-Bromopyridin-3-yl)methyl)ethanamine
(6-Bromo-pyridin-3-ylmethyl)-ethyl-amine
N-[(6-Bromopyridin-3-yl)methyl]ethanamine
N-[(6-bromo-3-pyridyl)methyl]ethanamine
SCHEMBL7662002
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.32
TPSA
24.92
LogP / Solubility
WLOGP
1.95
MLOGP
1.72
XLogP3
1.6
Consensus LogP
1.76
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.65
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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- CAS RN: 120740-06-9
- Product Code: starshine_CAS120740-06-9
- Purity/Analytical method: >99.0%
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