CAS RN: 27392-68-3
1,5-NAPHTHYRIDIN-4-AMINE
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS27392-68-3
- Purity/Analytical Methods: >99.0%
27392-68-3 / 1,5-naphthyridin-4-amine
Basic Information
CAS
27392-68-3
Multi CAS
No
Molecular Formula
C8H7N3
Molecular Weight
145.160000
Exact Mass
145.063997
InChI
InChI=1S/C8H7N3/c9-6-3-5-10-7-2-1-4-11-8(6)7/h1-5H,(H2,9,10)
InChIKey
KFAJXZVDBVRZRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.95
TPSA
51.8
LogP / Solubility
WLOGP
1.21
MLOGP
1.06
XLogP3
1.3
Consensus LogP
1.19
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-2.74
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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