CAS RN: 273381-61-6
N2,N7-Di(naphthalen-1-yl)-N2,N7-diphenyl-9H-fluorene-2,7-diamine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260117 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS273381-61-6
- Purity/Analytical Methods: >99.0%
273381-61-6 / 2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine
Basic Information
CAS
273381-61-6
Multi CAS
No
Molecular Formula
C45H32N2
Molecular Weight
600.700000
Exact Mass
600.256549
InChI
InChI=1S/C45H32N2/c1-3-17-36(18-4-1)46(44-23-11-15-32-13-7-9-21-42(32)44)38-25-27-40-34(30-38)29-35-31-39(26-28-41(35)40)47(37-19-5-2-6-20-37)45-24-12-16-33-14-8-10-22-43(33)45/h1-28,30-31H,29H2
InChIKey
ADQOJSQAQKEWET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
44
Fraction Csp3
0.02
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
199.06
TPSA
6.48
LogP / Solubility
WLOGP
12.5
MLOGP
11.05
XLogP3
12.5
Consensus LogP
12.02
Log S (ESOL)
-11.74
Class (ESOL)
Insoluble
Log S (Ali)
-13.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.66
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)
2.49
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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