CAS RN: 791616-64-3
(R)-3,3′-Dibromo-5,5′,6,6′,7,7′,8,8′-octahydro-2,2′-bis(methoxymethoxy)-1,1′-binaphthalene
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260104 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS791616-64-3
- Purity/Analytical Methods: >99.0%
791616-64-3 / 7-bromo-5-[3-bromo-2-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalene
Basic Information
CAS
791616-64-3
Multi CAS
No
Molecular Formula
C24H28BR2O4
Molecular Weight
540.300000
Exact Mass
540.033390
InChI
InChI=1S/C24H28Br2O4/c1-27-13-29-23-19(25)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26)24(22)30-14-28-2/h11-12H,3-10,13-14H2,1-2H3
InChIKey
YSRXCDZPURGIRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
125.57
TPSA
36.92
LogP / Solubility
WLOGP
6.6
MLOGP
5.85
XLogP3
7.5
Consensus LogP
6.65
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-8.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.49
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)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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