CAS RN: 215433-51-5
R-3-3′-Bis(3,5-bis(methyl)phenyl)-1,1′-bi-2-naphthol
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250908 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-103231
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
215433-51-5 / 3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
Basic Information
CAS
215433-51-5
Multi CAS
No
Molecular Formula
C36H30O2
Molecular Weight
494.600000
Exact Mass
494.224580
SMILES
CC1=CC(=CC(=C1)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)C)C)O)C
InChI
InChI=1S/C36H30O2/c1-21-13-22(2)16-27(15-21)31-19-25-9-5-7-11-29(25)33(35(31)37)34-30-12-8-6-10-26(30)20-32(36(34)38)28-17-23(3)14-24(4)18-28/h5-20,37-38H,1-4H3
InChIKey
FODYBPPVIXVLOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
32
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
160.04
TPSA
40.46
LogP / Solubility
WLOGP
9.64
MLOGP
8.52
XLogP3
10
Consensus LogP
9.39
Log S (ESOL)
-9.4
Class (ESOL)
Insoluble
Log S (Ali)
-10.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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