CAS RN: 35552-76-2

N,N-dimethyl-2-Quinoxalinamine

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Batchno.20250325 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS35552-76-2
  • Purity/Analytical Methods: >99.0%
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35552-76-2 / N,N-dimethylquinoxalin-2-amine

Standard CAS: 35552-76-2 Multi CAS: No

Basic Information

CAS
35552-76-2
Multi CAS
No
Molecular Formula
C10H11N3
Molecular Weight
173.210000
Exact Mass
173.095297
InChI
InChI=1S/C10H11N3/c1-13(2)10-7-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3
InChIKey
ZOWBRYALCDNHPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.87
TPSA
29.02

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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