[email protected]
CAS 1598410-12-8 4′-bromo-10-phenyl-10H-spiro[acridine-9,9′-fluorene] molecular structure lightbox
CAS RN: 1598410-12-8

4′-bromo-10-phenyl-10H-spiro[acridine-9,9′-fluorene]

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1598410-12-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1598410-12-8 / 4'-bromo-10-phenylspiro[acridine-9,9'-fluorene]

Standard CAS: 1598410-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1598410-12-8
Multi CAS
No
Molecular Formula
C31H20BrN
Molecular Weight
486.400000
Exact Mass
485.077910
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C4(C5=C(C6=CC=CC=C64)C(=CC=C5)Br)C7=CC=CC=C72
InChI
InChI=1S/C31H20BrN/c32-27-18-10-17-26-30(27)22-13-4-5-14-23(22)31(26)24-15-6-8-19-28(24)33(21-11-2-1-3-12-21)29-20-9-7-16-25(29)31/h1-20H
InChIKey
ROBGZFPLSNPVPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
30
Fraction Csp3
0.03
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
139.69
TPSA
3.24

LogP / Solubility

WLOGP
8.6
MLOGP
7.6
XLogP3
8.7
Consensus LogP
8.3
Log S (ESOL)
-8.88
Class (ESOL)
Insoluble
Log S (Ali)
-9.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.08
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)
0.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us