CAS RN: 132-68-3
3-Hydroxy-N-(1-naphthyl)-2-naphthamide
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250814 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTH0318
132-68-3 / 3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide
Basic Information
CAS
132-68-3
Multi CAS
No
Molecular Formula
C21H15NO2
Molecular Weight
313.300000
Exact Mass
313.110279
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC=CC=C4C=C3O
InChI
InChI=1S/C21H15NO2/c23-20-13-16-8-2-1-7-15(16)12-18(20)21(24)22-19-11-5-9-14-6-3-4-10-17(14)19/h1-13,23H,(H,22,24)
InChIKey
QGZGJNPVHADCFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
20
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
97.51
TPSA
49.33
LogP / Solubility
WLOGP
4.95
MLOGP
4.37
XLogP3
5.5
Consensus LogP
4.94
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501
