![CAS 934269-17-7 2,7-Dibromo-2′,3′,5′,6′-tetrahydrospiro[fluorene-9,4′-pyran] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/934269-17-7.gif)
CAS RN: 934269-17-7
2,7-Dibromo-2′,3′,5′,6′-tetrahydrospiro[fluorene-9,4′-pyran]
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260604 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS934269-17-7
- Purity/Analytical Methods: >99.0%
934269-17-7 / 2,7-dibromospiro[fluorene-9,4'-oxane]
Basic Information
CAS
934269-17-7
Multi CAS
No
Molecular Formula
C17H14BR2O
Molecular Weight
394.100000
Exact Mass
393.939090
InChI
InChI=1S/C17H14Br2O/c18-11-1-3-13-14-4-2-12(19)10-16(14)17(15(13)9-11)5-7-20-8-6-17/h1-4,9-10H,5-8H2
InChIKey
VJAHYEYQWMPHQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
88.11
TPSA
9.23
LogP / Solubility
WLOGP
5.29
MLOGP
4.68
XLogP3
5.1
Consensus LogP
5.02
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-6.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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