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CAS 6954-55-8 4-FLUORENECARBOXYLIC ACID TECH. 90 molecular structure lightbox
CAS RN: 6954-55-8

4-FLUORENECARBOXYLIC ACID TECH. 90

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS6954-55-8
  • Purity/Analytical Methods: >99.0%
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6954-55-8 / 9H-fluorene-4-carboxylic acid

Standard CAS: 6954-55-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6954-55-8
Multi CAS
Yes
Molecular Formula
C14H10O2
Molecular Weight
210.230000
Exact Mass
210.068080
InChI
InChI=1S/C14H10O2/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8H2,(H,15,16)
InChIKey
WJNBLUOXTBTGMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.64
TPSA
37.3

LogP / Solubility

WLOGP
2.96
MLOGP
2.6
XLogP3
3.1
Consensus LogP
2.89
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly 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)
-1.9

Drug-likeness / Medicinal Chemistry

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

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