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CAS 1072951-45-1 5-FLUOROQUINOLIN-8-YLBORONIC ACID molecular structure lightbox
CAS RN: 1072951-45-1

5-FLUOROQUINOLIN-8-YLBORONIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250507 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1072951-45-1
  • Purity/Analytical Methods: >99.0%
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1072951-45-1 / (5-fluoroquinolin-8-yl)boronic acid

(5-Fluoroquinolin-8-yl)boronic acid | 5-Fluoroquinoline-8-boronic acid | MFCD11504850

Standard CAS: 1072951-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1072951-45-1
Multi CAS
No
Molecular Formula
C9H7BFNO2
Molecular Weight
190.970000
Exact Mass
191.055387
SMILES
B(C1=C2C(=C(C=C1)F)C=CC=N2)(O)O
InChI
InChI=1S/C9H7BFNO2/c11-8-4-3-7(10(13)14)9-6(8)2-1-5-12-9/h1-5,13-14H
InChIKey
HWFXMAQYNZHRLY-UHFFFAOYSA-N
Synonyms
(5-Fluoroquinolin-8-yl)boronic acid 5-Fluoroquinoline-8-boronic acid MFCD11504850 5-fluoroquinolin-8-ylboronic acid (5-Fluoroquinolin-8-yl)boronicacid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.53
TPSA
53.35

LogP / Solubility

WLOGP
0.05
MLOGP
0.05
XLogP3
0.05
Consensus LogP
0.05
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
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)
-3.85

Drug-likeness / Medicinal Chemistry

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

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