CAS RN: 838862-47-8
4,4′-Bis(3,6-di-tert-butyl-9H-carbazol-9-yl)-1,1′-biphenyl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260214 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: ICTB5675
- Purity/Analytical Methods: >98.0%(HPLC)
838862-47-8 / 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole
Basic Information
CAS
838862-47-8
Multi CAS
Yes
Molecular Formula
C52H56N2
Molecular Weight
709.000000
Exact Mass
708.444350
InChI
InChI=1S/C52H56N2/c1-49(2,3)35-17-25-45-41(29-35)42-30-36(50(4,5)6)18-26-46(42)53(45)39-21-13-33(14-22-39)34-15-23-40(24-16-34)54-47-27-19-37(51(7,8)9)31-43(47)44-32-38(52(10,11)12)20-28-48(44)54/h13-32H,1-12H3
InChIKey
OFUWRAFMFGLINE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
38
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
235.36
TPSA
9.86
LogP / Solubility
WLOGP
14.74
MLOGP
13.03
XLogP3
16.4
Consensus LogP
14.72
Log S (ESOL)
-13.84
Class (ESOL)
Insoluble
Log S (Ali)
-16.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.86
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)
3.42
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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