CAS RN: 338760-63-7
METHYL1,6-NAPHTHYRIDINE-2-CARBOXYLATE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS338760-63-7
- Purity/Analytical Methods: >99.0%
338760-63-7 / methyl 1,6-naphthyridine-2-carboxylate
Basic Information
CAS
338760-63-7
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
InChI
InChI=1S/C10H8N2O2/c1-14-10(13)9-3-2-7-6-11-5-4-8(7)12-9/h2-6H,1H3
InChIKey
MYBDMKUTAMPZRT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
50.88
TPSA
52.08
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.86
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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