CAS RN: 1853250-53-9
sp_001
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251215 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1853250-53-9
- Purity/Analytical Methods: >99.0%
1853250-53-9 / 9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
Basic Information
CAS
1853250-53-9
Multi CAS
No
Molecular Formula
C37H27N
Molecular Weight
485.600000
Exact Mass
485.214350
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NC3=CC4=C(C=C3)C5=CC=CC=C5C4(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C37H27N/c1-4-14-27(15-5-1)31-20-11-13-23-36(31)38-30-24-25-33-32-21-10-12-22-34(32)37(35(33)26-30,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-26,38H
InChIKey
UHTHOTNMHQDECN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
36
Fraction Csp3
0.03
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
158.91
TPSA
12.03
LogP / Solubility
WLOGP
9.46
MLOGP
8.36
XLogP3
9.8
Consensus LogP
9.21
Log S (ESOL)
-9.18
Class (ESOL)
Insoluble
Log S (Ali)
-10.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.27
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
6
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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