![CAS 1421789-39-0 9H-Fluoren-3-amine, N-[1,1′-biphenyl]-2-yl-9,9-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1421789-39-0.gif)
CAS RN: 1421789-39-0
9H-Fluoren-3-amine, N-[1,1′-biphenyl]-2-yl-9,9-dimethyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1421789-39-0
- Purity/Analytical Methods: >99.0%
1421789-39-0 / 9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
Basic Information
CAS
1421789-39-0
Multi CAS
No
Molecular Formula
C27H23N
Molecular Weight
361.500000
Exact Mass
361.183050
SMILES
CC1(C2=C(C=C(C=C2)NC3=CC=CC=C3C4=CC=CC=C4)C5=CC=CC=C51)C
InChI
InChI=1S/C27H23N/c1-27(2)24-14-8-6-13-22(24)23-18-20(16-17-25(23)27)28-26-15-9-7-12-21(26)19-10-4-3-5-11-19/h3-18,28H,1-2H3
InChIKey
BATWIZHAVGUXTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
119.17
TPSA
12.03
LogP / Solubility
WLOGP
7.4
MLOGP
6.53
XLogP3
7.6
Consensus LogP
7.18
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.51
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)
0.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1421852-79-0 N-[(8α,9R)-6′-Methoxycinchonan-9-yl]-N’-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1421852-79-0.gif)
