CAS RN: 890-51-7
N-Benzylidene-1-napthylamine
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.20260101 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS890-51-7
- Purity/Analytical Methods: >99.0%
890-51-7 / N-naphthalen-1-yl-1-phenylmethanimine
Basic Information
CAS
890-51-7
Multi CAS
No
Molecular Formula
C17H13N
Molecular Weight
231.290000
Exact Mass
231.104799
InChI
InChI=1S/C17H13N/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-13H
InChIKey
NQPYSYDZNCHIQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
77.64
TPSA
12.36
LogP / Solubility
WLOGP
4.59
MLOGP
4.04
XLogP3
4.2
Consensus LogP
4.28
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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