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CAS 1121545-04-7 9-Bromo-benzo[c]fluoren-7-one molecular structure lightbox
CAS RN: 1121545-04-7

9-Bromo-benzo[c]fluoren-7-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1121545-04-7
  • Purity/Analytical Methods: >99.0%
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1121545-04-7 / 9-bromobenzo[c]fluoren-7-one

2-Bromo-11H-benzo[b]fluoren-11-one | 2-bromobenzo[b]fluoren-11-one | MFCD32012308

Standard CAS: 1121545-04-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1121545-04-7
Multi CAS
Yes
Molecular Formula
C17H9BrO
Molecular Weight
309.160000
Exact Mass
307.983680
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=C(C3=O)C=C(C=C4)Br
InChI
InChI=1S/C17H9BrO/c18-11-6-8-13-15(9-11)17(19)14-7-5-10-3-1-2-4-12(10)16(13)14/h1-9H
InChIKey
UTMSVDJHIFRVSW-UHFFFAOYSA-N
Synonyms
2-Bromo-11H-benzo[b]fluoren-11-one 2-bromobenzo[b]fluoren-11-one MFCD32012308 SCHEMBL19922655 SCHEMBL31195893

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
H-bond acceptors
1
Molar refractivity
80.52
TPSA
17.07

LogP / Solubility

WLOGP
4.81
MLOGP
4.25
XLogP3
5
Consensus LogP
4.69
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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