![CAS 1353682-93-5 (1R)-3,3′-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1353682-93-5.gif)
CAS RN: 1353682-93-5
(1R)-3,3′-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]-[1,1′-Binaphthalene]-2,2′-diol
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.20250320 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-043596
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 |
1353682-93-5 / 3-(3,5-ditert-butylphenyl)-1-[3-(3,5-ditert-butylphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
Basic Information
CAS
1353682-93-5
Multi CAS
No
Molecular Formula
C48H54O2
Molecular Weight
662.900000
Exact Mass
662.412381
SMILES
CC(C)(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C48H54O2/c1-45(2,3)33-21-31(22-34(27-33)46(4,5)6)39-25-29-17-13-15-19-37(29)41(43(39)49)42-38-20-16-14-18-30(38)26-40(44(42)50)32-23-35(47(7,8)9)28-36(24-32)48(10,11)12/h13-28,49-50H,1-12H3
InChIKey
YJEFENFAQSHVFN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
32
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
215.89
TPSA
40.46
LogP / Solubility
WLOGP
13.6
MLOGP
12.02
XLogP3
15.3
Consensus LogP
13.64
Log S (ESOL)
-12.79
Class (ESOL)
Insoluble
Log S (Ali)
-14.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.61
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)
2.89
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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