CAS RN: 1185307-69-0
(3-Nitro-pyridin-2-yl)-piperidin-3-yl-aMine hydrochloride, 98+% C10H15ClN4O2, MW: 258.70
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.20260413 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185307-69-0
- Purity/Analytical Methods: >99.0%
1185307-69-0 / 3-nitro-N-piperidin-3-ylpyridin-2-amine;hydrochloride
(3-Nitro-pyridin-2-yl)-piperidin-3-yl-amine hydrochloride | 3-Nitro-N-(piperidin-3-yl)pyridin-2-amine hydrochloride | (3-Nitro-pyridin-2-yl)-piperidin-3-yl-aMine hydrochloride, 98+% C10H15ClN4O2, MW
Basic Information
CAS
1185307-69-0
Multi CAS
No
Molecular Formula
C10H15ClN4O2
Molecular Weight
258.700000
Exact Mass
258.088353
SMILES
C1CC(CNC1)NC2=C(C=CC=N2)[N+](=O)[O-].Cl
InChI
InChI=1S/C10H14N4O2.ClH/c15-14(16)9-4-2-6-12-10(9)13-8-3-1-5-11-7-8;/h2,4,6,8,11H,1,3,5,7H2,(H,12,13);1H
InChIKey
BCEDSJHWQLWCJK-UHFFFAOYSA-N
Synonyms
(3-Nitro-pyridin-2-yl)-piperidin-3-yl-amine hydrochloride
3-Nitro-N-(piperidin-3-yl)pyridin-2-amine hydrochloride
(3-Nitro-pyridin-2-yl)-piperidin-3-yl-aMine hydrochloride, 98+% C10H15ClN4O2, MW
3-nitro-N-piperidin-3-ylpyridin-2-amine;hydrochloride
3-nitro-N-(3-piperidyl)pyridin-2-amine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
67.65
TPSA
80.09
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.58
Consensus LogP
1.52
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
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
2
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![CAS 1185307-76-9 2-[(Piperidin-4-ylMethyl)-aMino]-nicotinonitrile hydrochloride, 98+% C12H17ClN4, MW: 252.74 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185307-76-9.gif)
