CAS RN: 111359-68-3
6-Methoxy-2-naphthaMide, 97%(HPLC)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 100mg / 250mg / 1g / 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINM926668
111359-68-3 / 6-methoxynaphthalene-2-carboxamide
6-Methoxy-2-naphthamide | 6-Methoxynaphthalene-2-carboxamide | MFCD18905866
Basic Information
CAS
111359-68-3
Multi CAS
No
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C(=O)N
InChI
InChI=1S/C12H11NO2/c1-15-11-5-4-8-6-10(12(13)14)3-2-9(8)7-11/h2-7H,1H3,(H2,13,14)
InChIKey
BGWQUNHORXXTHE-UHFFFAOYSA-N
Synonyms
6-Methoxy-2-naphthamide
6-Methoxynaphthalene-2-carboxamide
MFCD18905866
SCHEMBL9702109
F70165
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.02
TPSA
52.32
LogP / Solubility
WLOGP
1.95
MLOGP
1.71
XLogP3
2.3
Consensus LogP
1.99
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.56
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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