CAS RN: 62353-81-5
1-Hydroxy-2-Naphthalene-N-Methyl Carboxamide
Product Availability
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2 package records2 with current stock2 grade groups
- Product code: starshine_CAS62353-81-5
- Purity/Analytical Methods: >99.0%
62353-81-5 / 1-hydroxy-N-methylnaphthalene-2-carboxamide
Basic Information
CAS
62353-81-5
Multi CAS
No
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
InChI
InChI=1S/C12H11NO2/c1-13-12(15)10-7-6-8-4-2-3-5-9(8)11(10)14/h2-7,14H,1H3,(H,13,15)
InChIKey
YEOGSEYGVSFBHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59
TPSA
49.33
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
2.6
Consensus LogP
2.06
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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