CAS RN: 720693-19-6
4-(6-Chloropyrazin-2-yl)morpholine
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS720693-19-6
- Purity/Analytical Methods: >99.0%
720693-19-6 / 4-(6-chloropyrazin-2-yl)morpholine
Basic Information
CAS
720693-19-6
Multi CAS
No
Molecular Formula
C8H10CLN3O
Molecular Weight
199.640000
Exact Mass
199.051240
InChI
InChI=1S/C8H10ClN3O/c9-7-5-10-6-8(11-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKey
AVZHUCQUCHGNJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
50.07
TPSA
38.25
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
0.8
Consensus LogP
0.87
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-3.25
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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