CAS RN: 113443-62-2
N-methoxy-N-methylnaphthalene-2-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251016 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS113443-62-2
- Purity/Analytical Methods: >99.0%
113443-62-2 / N-methoxy-N-methylnaphthalene-2-carboxamide
N-methoxy-N-methylnaphthalene-2-carboxamide | N-methoxy-N-methyl-2-naphthamide | MFCD00969010
Basic Information
CAS
113443-62-2
Multi CAS
No
Molecular Formula
C13H13NO2
Molecular Weight
215.250000
Exact Mass
215.094629
SMILES
CN(C(=O)C1=CC2=CC=CC=C2C=C1)OC
InChI
InChI=1S/C13H13NO2/c1-14(16-2)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
InChIKey
YSNHBNFKJLVKGA-UHFFFAOYSA-N
Synonyms
N-methoxy-N-methylnaphthalene-2-carboxamide
N-methoxy-N-methyl-2-naphthamide
MFCD00969010
2-naphthoic-n-methoxy-n-methyl amide
N-methoxy-N-methyl-naphthalene-2-carboxamide
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
63.05
TPSA
29.54
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
3.3
Consensus LogP
2.65
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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