![CAS 851615-07-1 (1’R)- [1,3′:1′,1”:3”,1”’-Quaternaphthalene]-2′,2”-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851615-07-1.gif)
CAS RN: 851615-07-1
(1’R)- [1,3′:1′,1”:3”,1”’-Quaternaphthalene]-2′,2”-diol
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250107 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS851615-07-1
- Purity/Analytical Methods: >99.0%
851615-07-1 / 1-(2-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)-3-naphthalen-1-ylnaphthalen-2-ol
Basic Information
CAS
851615-07-1
Multi CAS
No
Molecular Formula
C40H26O2
Molecular Weight
538.600000
Exact Mass
538.193280
InChI
InChI=1S/C40H26O2/c41-39-35(33-21-9-15-25-11-1-5-17-29(25)33)23-27-13-3-7-19-31(27)37(39)38-32-20-8-4-14-28(32)24-36(40(38)42)34-22-10-16-26-12-2-6-18-30(26)34/h1-24,41-42H
InChIKey
FRYNHLQJUJCRFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
40
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
176.1
TPSA
40.46
LogP / Solubility
WLOGP
10.71
MLOGP
9.47
XLogP3
11.1
Consensus LogP
10.43
Log S (ESOL)
-10.43
Class (ESOL)
Insoluble
Log S (Ali)
-11.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.6
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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