CAS RN: 1446138-83-5
Ethanone, 2-broMo-1-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251023 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1446138-83-5
- Purity/Analytical Methods: >99.0%
1446138-83-5 / 2-bromo-1-(7-bromo-9,9-difluorofluoren-2-yl)ethanone
Basic Information
CAS
1446138-83-5
Multi CAS
No
Molecular Formula
C15H8Br2F2O
Molecular Weight
402.030000
Exact Mass
401.888950
SMILES
C1=CC2=C(C=C1C(=O)CBr)C(C3=C2C=CC(=C3)Br)(F)F
InChI
InChI=1S/C15H8Br2F2O/c16-7-14(20)8-1-3-10-11-4-2-9(17)6-13(11)15(18,19)12(10)5-8/h1-6H,7H2
InChIKey
MSKOFVIDGILCOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
80.7
TPSA
17.07
LogP / Solubility
WLOGP
5.15
MLOGP
4.55
XLogP3
4.9
Consensus LogP
4.87
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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