CAS RN: 132-66-1
N-(1-Naphthyl)phthalamic Acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-039059
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
132-66-1 / 2-(naphthalen-1-ylcarbamoyl)benzoic acid
Basic Information
CAS
132-66-1
Multi CAS
No
Molecular Formula
C18H13NO3
Molecular Weight
291.300000
Exact Mass
291.089543
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
InChIKey
JXTHEWSKYLZVJC-UHFFFAOYSA-N
Physical Properties
Melting Point
203 °C
MP: 175-180 °C /TECHNICAL/
Density
1.40 @ 20 °C/4 °C
Physical Description
Colorless solid; [Hawley] Purple solid with an unpleasant odor; [HSDB] Solid with an unpleasant odor
Appearance
CRYSTALLINE SOLID POWDER, PURPLE
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
85.3
TPSA
66.4
LogP / Solubility
WLOGP
3.79
MLOGP
3.35
XLogP3
3.5
Consensus LogP
3.55
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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
Safety & Transport
GHS Hazard Statements
H412 (98.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
