CAS RN: 62553-86-0
3-hydroxy-N-(3-methoxyphenyl)-2-Naphthalenecarboxamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260519 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS62553-86-0
- Purity/Analytical Methods: >99.0%
62553-86-0 / 3-hydroxy-N-(3-methoxyphenyl)naphthalene-2-carboxamide
Basic Information
CAS
62553-86-0
Multi CAS
No
Molecular Formula
C18H15NO3
Molecular Weight
293.300000
Exact Mass
293.105193
InChI
InChI=1S/C18H15NO3/c1-22-15-8-4-7-14(11-15)19-18(21)16-9-12-5-2-3-6-13(12)10-17(16)20/h2-11,20H,1H3,(H,19,21)
InChIKey
ZGZIWJXBOGSHNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
86.56
TPSA
58.56
LogP / Solubility
WLOGP
3.81
MLOGP
3.36
XLogP3
4.2
Consensus LogP
3.79
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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