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CAS 2714-87-6 [1,1′-Biphenyl]-4-carbonyl fluoride molecular structure lightbox
CAS RN: 2714-87-6

[1,1′-Biphenyl]-4-carbonyl fluoride

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 100mg Out of stock Inquiry
Batchno.20250905 1g Out of stock Inquiry
Batchno.20250517 250mg Out of stock Inquiry
Batchno.20250826 25g In stock Shenzhen Inquiry
Batchno.20250329 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS2714-87-6
  • Purity/Analytical Methods: >99.0%
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2714-87-6 / 4-phenylbenzoyl fluoride

Standard CAS: 2714-87-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2714-87-6
Multi CAS
No
Molecular Formula
C13H9FO
Molecular Weight
200.210000
Exact Mass
200.063743
InChI
InChI=1S/C13H9FO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey
LBBFCPWRSLIXNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
57.32
TPSA
17.07

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
4
Consensus LogP
3.5
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

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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