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CAS 194470-10-5 9-FLUORENONE-1-BORONIC ACID molecular structure lightbox
CAS RN: 194470-10-5

9-FLUORENONE-1-BORONIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS194470-10-5
  • Purity/Analytical Methods: >99.0%
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194470-10-5 / (9-oxofluoren-1-yl)boronic acid

Standard CAS: 194470-10-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
194470-10-5
Multi CAS
No
Molecular Formula
C13H9BO3
Molecular Weight
224.020000
Exact Mass
224.064474
SMILES
B(C1=C2C(=CC=C1)C3=CC=CC=C3C2=O)(O)O
InChI
InChI=1S/C13H9BO3/c15-13-10-5-2-1-4-8(10)9-6-3-7-11(12(9)13)14(16)17/h1-7,16-17H
InChIKey
HSOKHBOOTOGTGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.14
TPSA
57.53

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
0.58
Consensus LogP
0.56
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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