CAS RN: 75714-60-2
(S)-3,3′-Dibromo-2,2′-dimethoxy-1,1′-binaphthyl
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.20250915 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-185163
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: ≥98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
75714-60-2 / 3-bromo-1-(3-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
Basic Information
CAS
75714-60-2
Multi CAS
No
Molecular Formula
C22H16BR2O2
Molecular Weight
472.200000
Exact Mass
471.949660
InChI
InChI=1S/C22H16Br2O2/c1-25-21-17(23)11-13-7-3-5-9-15(13)19(21)20-16-10-6-4-8-14(16)12-18(24)22(20)26-2/h3-12H,1-2H3
InChIKey
DFTUKDIMHCCQIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
20
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
115.39
TPSA
18.46
LogP / Solubility
WLOGP
7.2
MLOGP
6.37
XLogP3
7.4
Consensus LogP
6.99
Log S (ESOL)
-7.68
Class (ESOL)
Insoluble
Log S (Ali)
-8.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
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)
-0.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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