CAS RN: 851775-62-7
2,2′-(9,9-bis(6-bromohexyl)-9H-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251202 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shandong, Shanghai, Guangdong | 5-7 business days | Inquiry |
- Product code: starshine_CAS851775-62-7
- Purity/Analytical Methods: >99.0%
851775-62-7 / 2-[9,9-bis(6-bromohexyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
851775-62-7
Multi CAS
No
Molecular Formula
C37H54B2BR2O4
Molecular Weight
744.300000
Exact Mass
744.255450
InChI
InChI=1S/C37H54B2Br2O4/c1-33(2)34(3,4)43-38(42-33)27-17-19-29-30-20-18-28(39-44-35(5,6)36(7,8)45-39)26-32(30)37(31(29)25-27,21-13-9-11-15-23-40)22-14-10-12-16-24-41/h17-20,25-26H,9-16,21-24H2,1-8H3
InChIKey
YWKCORYDFLOJOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.68
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
197.85
TPSA
36.92
LogP / Solubility
WLOGP
9.24
MLOGP
8.2
XLogP3
9.24
Consensus LogP
8.89
Log S (ESOL)
-9.55
Class (ESOL)
Insoluble
Log S (Ali)
-12.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.85
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)
-0.7
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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