CAS RN: 1033202-53-7
(5-BROMO-3-NITRO-PYRIDIN-2-YL)-CYCLOPENTYL-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.20250921 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1033202-53-7
- Purity/Analytical Methods: >99.0%
1033202-53-7 / 5-bromo-N-cyclopentyl-3-nitropyridin-2-amine
5-Bromo-N-cyclopentyl-3-nitropyridin-2-amine | 5-Bromo-2-cyclopentylamino-3-nitropyridine | MFCD08692161
Basic Information
CAS
1033202-53-7
Multi CAS
No
Molecular Formula
C10H12BrN3O2
Molecular Weight
286.130000
Exact Mass
285.011290
SMILES
C1CCC(C1)NC2=C(C=C(C=N2)Br)[N+](=O)[O-]
InChI
InChI=1S/C10H12BrN3O2/c11-7-5-9(14(15)16)10(12-6-7)13-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,12,13)
InChIKey
HWETUADXWHBETB-UHFFFAOYSA-N
Synonyms
5-Bromo-N-cyclopentyl-3-nitropyridin-2-amine
5-Bromo-2-cyclopentylamino-3-nitropyridine
MFCD08692161
DTXSID60674448
AKOS010476939
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.47
TPSA
68.06
LogP / Solubility
WLOGP
3.11
MLOGP
2.74
XLogP3
3.5
Consensus LogP
3.12
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
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
