CAS RN: 1185319-96-3
N-Cyclopropyl-N’-piperidin-4-yl-quinoxaline-2,3-diaMine hydrochloride, 98+% C16H21N5, MW: 319.84
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.20260614 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185319-96-3
- Purity/Analytical Methods: >99.0%
1185319-96-3 / 2-N-cyclopropyl-3-N-piperidin-4-ylquinoxaline-2,3-diamine;hydrochloride
N2-Cyclopropyl-N3-(piperidin-4-yl)quinoxaline-2,3-diamine hydrochloride | N-Cyclopropyl-N'-piperidin-4-yl-quinoxaline-2,3-diamine hydrochloride | 2-N-cyclopropyl-3-N-piperidin-4-ylquinoxaline-2,3-diamine;hydrochloride
Basic Information
CAS
1185319-96-3
Multi CAS
No
Molecular Formula
C16H22ClN5
Molecular Weight
319.830000
Exact Mass
319.156373
SMILES
C1CC1NC2=NC3=CC=CC=C3N=C2NC4CCNCC4.Cl
InChI
InChI=1S/C16H21N5.ClH/c1-2-4-14-13(3-1)20-15(18-11-5-6-11)16(21-14)19-12-7-9-17-10-8-12;/h1-4,11-12,17H,5-10H2,(H,18,20)(H,19,21);1H
InChIKey
KAIKXLXOFBATLL-UHFFFAOYSA-N
Synonyms
N2-Cyclopropyl-N3-(piperidin-4-yl)quinoxaline-2,3-diamine hydrochloride
N-Cyclopropyl-N'-piperidin-4-yl-quinoxaline-2,3-diamine hydrochloride
2-N-cyclopropyl-3-N-piperidin-4-ylquinoxaline-2,3-diamine;hydrochloride
DTXSID30671409
SBB075736
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
92.95
TPSA
61.87
LogP / Solubility
WLOGP
2.79
MLOGP
2.47
XLogP3
2.79
Consensus LogP
2.68
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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