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CAS 19031-43-7 3-Methylquinoxalin-5-aMine molecular structure lightbox
CAS RN: 19031-43-7

3-Methylquinoxalin-5-aMine

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260317 100mg Out of stock 5-7 business days Inquiry
Batchno.20250326 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251031 100mg Out of stock Inquiry
  • Product code: starshine_CAS19031-43-7
  • Purity/Analytical Methods: >99.0%
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19031-43-7 / 3-methylquinoxalin-5-amine

Standard CAS: 19031-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19031-43-7
Multi CAS
No
Molecular Formula
C9H9N3
Molecular Weight
159.190000
Exact Mass
159.079647
SMILES
CC1=NC2=C(C=CC=C2N=C1)N
InChI
InChI=1S/C9H9N3/c1-6-5-11-8-4-2-3-7(10)9(8)12-6/h2-5H,10H2,1H3
InChIKey
TXZGIJQANGIGSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.69
TPSA
51.8

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
1.7
Consensus LogP
1.52
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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