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CAS 874219-29-1 4-FLUORO-3-(MORPHOLIN-4-YLCARBONYL)BENZENEBORONIC ACID molecular structure lightbox
CAS RN: 874219-29-1

4-FLUORO-3-(MORPHOLIN-4-YLCARBONYL)BENZENEBORONIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS874219-29-1
  • Purity/Analytical Methods: >99.0%
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874219-29-1 / [4-fluoro-3-(morpholine-4-carbonyl)phenyl]boronic acid

Standard CAS: 874219-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874219-29-1
Multi CAS
No
Molecular Formula
BC11FH13NO4
Molecular Weight
253.040000
Exact Mass
253.092166
InChI
InChI=1S/C11H13BFNO4/c13-10-2-1-8(12(16)17)7-9(10)11(15)14-3-5-18-6-4-14/h1-2,7,16-17H,3-6H2
InChIKey
DLQOQRNXQBBPSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.95
TPSA
70

LogP / Solubility

WLOGP
-1.02
MLOGP
-0.89
XLogP3
-1.02
Consensus LogP
-0.98
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.99

Drug-likeness / Medicinal Chemistry

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

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