CAS RN: 1203499-08-4
1-(5-Bromo-3-nitropyridin-2-yl)piperazine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1203499-08-4
- Purity/Analytical Methods: >99.0%
1203499-08-4 / 1-(5-bromo-3-nitro-2-pyridinyl)piperazine
1-(5-Bromo-3-nitropyridin-2-yl)piperazine | MFCD13176633 | 1-(5-bromo-3-nitro-2-pyridinyl)piperazine
Basic Information
CAS
1203499-08-4
Multi CAS
No
Molecular Formula
C9H11BrN4O2
Molecular Weight
287.110000
Exact Mass
286.006540
SMILES
C1CN(CCN1)C2=C(C=C(C=N2)Br)[N+](=O)[O-]
InChI
InChI=1S/C9H11BrN4O2/c10-7-5-8(14(15)16)9(12-6-7)13-3-1-11-2-4-13/h5-6,11H,1-4H2
InChIKey
KEICYYFEZSTEIP-UHFFFAOYSA-N
Synonyms
1-(5-Bromo-3-nitropyridin-2-yl)piperazine
MFCD13176633
1-(5-bromo-3-nitro-2-pyridinyl)piperazine
AKOS005071805
BE-0225
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.67
TPSA
71.3
LogP / Solubility
WLOGP
1.16
MLOGP
1.03
XLogP3
1.2
Consensus LogP
1.13
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-3.65
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
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