![CAS 1347758-80-8 4-[N-[1,1′-biphenyl]-4-yl-N-9,9-diMethyl-9H-Fluoren-2-aMine]phenylboricacidpinacol ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1347758-80-8.gif)
CAS RN: 1347758-80-8
4-[N-[1,1′-biphenyl]-4-yl-N-9,9-diMethyl-9H-Fluoren-2-aMine]phenylboricacidpinacol ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250402 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1347758-80-8
- Purity/Analytical Methods: >99.0%
1347758-80-8 / 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine
Basic Information
CAS
1347758-80-8
Multi CAS
No
Molecular Formula
C39H38BNO2
Molecular Weight
563.500000
Exact Mass
563.299560
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C6(C)C
InChI
InChI=1S/C39H38BNO2/c1-37(2)35-15-11-10-14-33(35)34-25-24-32(26-36(34)37)41(30-20-16-28(17-21-30)27-12-8-7-9-13-27)31-22-18-29(19-23-31)40-42-38(3,4)39(5,6)43-40/h7-26H,1-6H3
InChIKey
DGQGTHWCTHSWCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
30
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
179.84
TPSA
21.7
LogP / Solubility
WLOGP
9.43
MLOGP
8.34
XLogP3
9.43
Consensus LogP
9.07
Log S (ESOL)
-9.46
Class (ESOL)
Insoluble
Log S (Ali)
-10.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.75
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)
0.54
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
6
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![CAS 1349171-28-3 2-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1349171-28-3.gif)
