![CAS 2131158-87-5 9,9′-Spirobi[9H-fluoren]-3-amine, N-[1,1′-biphenyl]-2-yl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2131158-87-5.png)
CAS RN: 2131158-87-5
9,9′-Spirobi[9H-fluoren]-3-amine, N-[1,1′-biphenyl]-2-yl-
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.20260320 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2131158-87-5
- Purity/Analytical Methods: >99.0%
2131158-87-5 / N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
Basic Information
CAS
2131158-87-5
Multi CAS
No
Molecular Formula
C37H25N
Molecular Weight
483.600000
Exact Mass
483.198700
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NC3=CC4=C(C=C3)C5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C84
InChI
InChI=1S/C37H25N/c1-2-12-25(13-3-1)27-14-7-11-21-36(27)38-26-22-23-35-31(24-26)30-17-6-10-20-34(30)37(35)32-18-8-4-15-28(32)29-16-5-9-19-33(29)37/h1-24,38H
InChIKey
NWEJZUOWBCWNMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
36
Fraction Csp3
0.03
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
157.9
TPSA
12.03
LogP / Solubility
WLOGP
9.44
MLOGP
8.34
XLogP3
9.5
Consensus LogP
9.09
Log S (ESOL)
-9.29
Class (ESOL)
Insoluble
Log S (Ali)
-10.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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