![CAS 1774892-76-0 3-chloropyrido[3,4-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1774892-76-0.gif)
CAS RN: 1774892-76-0
3-chloropyrido[3,4-b]pyrazine
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS1774892-76-0
- Purity/Analytical Methods: >99.0%
1774892-76-0 / 3-chloropyrido[3,4-b]pyrazine
Basic Information
CAS
1774892-76-0
Multi CAS
No
Molecular Formula
C7H4ClN3
Molecular Weight
165.580000
Exact Mass
165.009375
SMILES
C1=CN=CC2=NC(=CN=C21)Cl
InChI
InChI=1S/C7H4ClN3/c8-7-4-10-5-1-2-9-3-6(5)11-7/h1-4H
InChIKey
QZGMRGJZVLNTLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
42.34
TPSA
38.67
LogP / Solubility
WLOGP
1.68
MLOGP
1.47
XLogP3
1.1
Consensus LogP
1.42
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.54
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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