CAS RN: 2411078-31-2
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250822 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2411078-31-2
- Purity/Analytical Methods: >99.0%
2411078-31-2 / 2'-bromo-2-chloro-9,9'-spirobi[fluorene]
Basic Information
CAS
2411078-31-2
Multi CAS
No
Molecular Formula
C25H14BrCl
Molecular Weight
429.700000
Exact Mass
427.996740
SMILES
C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=C4C=C(C=C6)Br)C=C(C=C3)Cl
InChI
InChI=1S/C25H14BrCl/c26-15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27)14-24(20)25/h1-14H
InChIKey
WACBNQHQGKZXMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
Molar refractivity
115.45
TPSA
0.0000
LogP / Solubility
WLOGP
7.45
MLOGP
6.58
XLogP3
7.7
Consensus LogP
7.24
Log S (ESOL)
-7.85
Class (ESOL)
Insoluble
Log S (Ali)
-8.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.63
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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