CAS RN: 673474-74-3
Poly[(9,9-bis(3￠-(N,N-diMethylaMino)propyl)-2,7-fluorene)-alt-2,7-(9,9-dioctylfluorene)
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250404 | 25mg / 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS673474-74-3
- Purity/Analytical Methods: >99.0%
673474-74-3 / 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine;2-[9,9-dioctyl-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
673474-74-3
Multi CAS
No
Molecular Formula
C64H94B2BR2N2O4
Molecular Weight
1136.900000
Exact Mass
1136.574600
InChI
InChI=1S/C41H64B2O4.C23H30Br2N2/c1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-26(2)13-5-11-23(12-6-14-27(3)4)21-15-17(24)7-9-19(21)20-10-8-18(25)16-22(20)23/h23-26,29-30H,11-22,27-28H2,1-10H3;7-10,15-16H,5-6,11-14H2,1-4H3
InChIKey
KFVHEDPARUQSLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
74
Aromatic heavy atom count
24
Fraction Csp3
0.62
Rotatable bonds
24
H-bond acceptors
6
Molar refractivity
323.71
TPSA
43.4
LogP / Solubility
WLOGP
16.21
MLOGP
14.38
XLogP3
16.21
Consensus LogP
15.6
Log S (ESOL)
-15.76
Class (ESOL)
Insoluble
Log S (Ali)
-20.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-23.39
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.86
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
6.5
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