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CAS 117719-17-2 2-AMINO-5-BROMO-3-MORPHOLIN-4-YLPYRAZINE molecular structure lightbox
CAS RN: 117719-17-2

2-AMINO-5-BROMO-3-MORPHOLIN-4-YLPYRAZINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS117719-17-2
  • Purity/Analytical Methods: >99.0%
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117719-17-2 / 5-bromo-3-morpholin-4-ylpyrazin-2-amine

5-BROMO-3-MORPHOLINOPYRAZIN-2-AMINE | 2-Amino-5-bromo-3-morpholin-4-ylpyrazine | 5-bromo-3-morpholin-4-ylpyrazin-2-amine

Standard CAS: 117719-17-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117719-17-2
Multi CAS
No
Molecular Formula
C8H11BrN4O
Molecular Weight
259.100000
Exact Mass
258.011620
SMILES
C1COCCN1C2=NC(=CN=C2N)Br
InChI
InChI=1S/C8H11BrN4O/c9-6-5-11-7(10)8(12-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11)
InChIKey
CWVGSOUZYXNHLF-UHFFFAOYSA-N
Synonyms
5-BROMO-3-MORPHOLINOPYRAZIN-2-AMINE 2-Amino-5-bromo-3-morpholin-4-ylpyrazine 5-bromo-3-morpholin-4-ylpyrazin-2-amine MFCD08056165 C8H11BrN4O

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
57.18
TPSA
64.27

LogP / Solubility

WLOGP
0.66
MLOGP
0.59
XLogP3
0.5
Consensus LogP
0.58
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83

Drug-likeness / Medicinal Chemistry

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

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