CAS RN: 1185311-67-4
(3-Chloro-quinoxalin-2-yl)-piperidin-3-ylMethyl-aMine hydrochloride, 98+% C14H18Cl2N4, MW: 313.23
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.20251009 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185311-67-4
- Purity/Analytical Methods: >99.0%
1185311-67-4 / 3-chloro-N-(piperidin-3-ylmethyl)quinoxalin-2-amine;hydrochloride
(3-Chloro-quinoxalin-2-yl)-piperidin-3-ylmethyl-amine hydrochloride | 3-Chloro-N-(piperidin-3-ylmethyl)quinoxalin-2-amine hydrochloride | 3-chloro-N-(piperidin-3-ylmethyl)quinoxalin-2-amine;hydrochloride
Basic Information
CAS
1185311-67-4
Multi CAS
No
Molecular Formula
C14H18Cl2N4
Molecular Weight
313.200000
Exact Mass
312.090852
SMILES
C1CC(CNC1)CNC2=NC3=CC=CC=C3N=C2Cl.Cl
InChI
InChI=1S/C14H17ClN4.ClH/c15-13-14(17-9-10-4-3-7-16-8-10)19-12-6-2-1-5-11(12)18-13;/h1-2,5-6,10,16H,3-4,7-9H2,(H,17,19);1H
InChIKey
SXDXIJQJHJGRGK-UHFFFAOYSA-N
Synonyms
(3-Chloro-quinoxalin-2-yl)-piperidin-3-ylmethyl-amine hydrochloride
3-Chloro-N-(piperidin-3-ylmethyl)quinoxalin-2-amine hydrochloride
3-chloro-N-(piperidin-3-ylmethyl)quinoxalin-2-amine;hydrochloride
3-chloro-N-[(piperidin-3-yl)methyl]quinoxalin-2-amine hydrochloride
DTXSID60671396
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
85.88
TPSA
49.84
LogP / Solubility
WLOGP
3.12
MLOGP
2.76
XLogP3
3.12
Consensus LogP
3
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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