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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
14564-86-4 / 1-(3-naphthalen-1-ylpropyl)naphthalene
Basic Information
CAS
14564-86-4
Multi CAS
No
Molecular Formula
C23H20
Molecular Weight
296.400000
Exact Mass
296.156501
SMILES
C1=CC=C2C(=C1)C=CC=C2CCCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H20/c1-3-16-22-18(8-1)10-5-12-20(22)14-7-15-21-13-6-11-19-9-2-4-17-23(19)21/h1-6,8-13,16-17H,7,14-15H2
InChIKey
ZOZXMYSUFOYSEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
20
Fraction Csp3
0.13
Rotatable bonds
4
Molar refractivity
99.92
TPSA
0.0000
LogP / Solubility
WLOGP
6.17
MLOGP
5.44
XLogP3
7.2
Consensus LogP
6.27
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.19
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
