CAS RN: 480424-86-0
9 9-DIDODECYLFLUORENE-2 7-DIBORONIC ACID
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250108 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS480424-86-0
- Purity/Analytical Methods: >99.0%
480424-86-0 / (7-borono-9,9-didodecylfluoren-2-yl)boronic acid
Basic Information
CAS
480424-86-0
Multi CAS
No
Molecular Formula
B2C37H60O4
Molecular Weight
590.500000
Exact Mass
590.467771
InChI
InChI=1S/C37H60B2O4/c1-3-5-7-9-11-13-15-17-19-21-27-37(28-22-20-18-16-14-12-10-8-6-4-2)35-29-31(38(40)41)23-25-33(35)34-26-24-32(39(42)43)30-36(34)37/h23-26,29-30,40-43H,3-22,27-28H2,1-2H3
InChIKey
MLGWUNIPUPZNEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
12
Fraction Csp3
0.68
Rotatable bonds
24
H-bond acceptors
4
H-bond donors
4
Molar refractivity
185.23
TPSA
80.92
LogP / Solubility
WLOGP
7.93
MLOGP
7.03
XLogP3
7.93
Consensus LogP
7.63
Log S (ESOL)
-7.12
Class (ESOL)
Insoluble
Log S (Ali)
-10.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.69
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
4
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