CAS RN: 1209458-99-0
4-Bromo-N-cyclopentylpyridin-2-amine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260610 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1209458-99-0
- Purity/Analytical Methods: >99.0%
1209458-99-0 / 4-bromo-N-cyclopentylpyridin-2-amine
4-Bromo-N-cyclopentylpyridin-2-amine | 4-BROMO-2-(N-CYCLOPENTYLAMINO)PYRIDINE | MFCD14702599
Basic Information
CAS
1209458-99-0
Multi CAS
Yes
Molecular Formula
C10H13BrN2
Molecular Weight
241.130000
Exact Mass
240.026210
SMILES
C1CCC(C1)NC2=NC=CC(=C2)Br
InChI
InChI=1S/C10H13BrN2/c11-8-5-6-12-10(7-8)13-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,12,13)
InChIKey
SJMMGOLQGWCCSC-UHFFFAOYSA-N
Synonyms
4-Bromo-N-cyclopentylpyridin-2-amine
4-BROMO-2-(N-CYCLOPENTYLAMINO)PYRIDINE
MFCD14702599
DTXSID50682476
AKOS015835349
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.82
TPSA
24.92
LogP / Solubility
WLOGP
3.2
MLOGP
2.82
XLogP3
3.1
Consensus LogP
3.04
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
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)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
