CAS RN: 1185307-70-3
1-(3-Chloro-quinoxalin-2-yl)-piperidin-3-ylaMine hydrochloride, 98+% C13H16Cl2N4, MW: 299.20
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.20250125 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185307-70-3
- Purity/Analytical Methods: >99.0%
1185307-70-3 / 1-(3-chloroquinoxalin-2-yl)piperidin-3-amine;hydrochloride
1-(3-Chloro-quinoxalin-2-yl)-piperidin-3-ylamine hydrochloride | 1-(3-Chloroquinoxalin-2-yl)piperidin-3-amine hydrochloride | DTXSID80671393
Basic Information
CAS
1185307-70-3
Multi CAS
No
Molecular Formula
C13H16Cl2N4
Molecular Weight
299.200000
Exact Mass
298.075202
SMILES
C1CC(CN(C1)C2=NC3=CC=CC=C3N=C2Cl)N.Cl
InChI
InChI=1S/C13H15ClN4.ClH/c14-12-13(18-7-3-4-9(15)8-18)17-11-6-2-1-5-10(11)16-12;/h1-2,5-6,9H,3-4,7-8,15H2;1H
InChIKey
OKRPMMFXZGELPZ-UHFFFAOYSA-N
Synonyms
1-(3-Chloro-quinoxalin-2-yl)-piperidin-3-ylamine hydrochloride
1-(3-Chloroquinoxalin-2-yl)piperidin-3-amine hydrochloride
DTXSID80671393
SBB074728
AKOS015941083
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.22
TPSA
55.04
LogP / Solubility
WLOGP
2.63
MLOGP
2.33
XLogP3
2.63
Consensus LogP
2.53
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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