![CAS 1185313-21-6 1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-ylaMine hydrochloride, 98+% C17H19ClN6O2, MW: 374.83 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185313-21-6.gif)
CAS RN: 1185313-21-6
1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-ylaMine hydrochloride, 98+% C17H19ClN6O2, MW: 374.83
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.20260331 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185313-21-6
- Purity/Analytical Methods: >99.0%
1185313-21-6 / 1-[1-(5-nitro-2-pyridinyl)benzimidazol-2-yl]piperidin-4-amine;hydrochloride
1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoimidazol-2-yl]-piperidin-4-ylamine hydrochloride | 1-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperidin-4-amine;hydrochloride | 1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-ylaMine hydrochloride, 98+% C17H19ClN6O2, MW
Basic Information
CAS
1185313-21-6
Multi CAS
Yes
Molecular Formula
C17H19ClN6O2
Molecular Weight
374.800000
Exact Mass
374.125802
SMILES
C1CN(CCC1N)C2=NC3=CC=CC=C3N2C4=NC=C(C=C4)[N+](=O)[O-].Cl
InChI
InChI=1S/C17H18N6O2.ClH/c18-12-7-9-21(10-8-12)17-20-14-3-1-2-4-15(14)22(17)16-6-5-13(11-19-16)23(24)25;/h1-6,11-12H,7-10,18H2;1H
InChIKey
XMBKEJLZVCVPFZ-UHFFFAOYSA-N
Synonyms
1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoimidazol-2-yl]-piperidin-4-ylamine hydrochloride
1-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperidin-4-amine;hydrochloride
1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-ylaMine hydrochloride, 98+% C17H19ClN6O2, MW
SBB075720
AKOS015941642
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
102.19
TPSA
103.11
LogP / Solubility
WLOGP
2.68
MLOGP
2.38
XLogP3
2.68
Consensus LogP
2.58
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1185313-62-5 3′-Chloro-5′-trifluoroMethyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-3-ylaMine hydrochloride, 98+% C11H14Cl2F3N3, MW: 316.15 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185313-62-5.gif)
