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CAS 7315-93-7 9H-FLUORENE-4-CARBONYL CHLORIDE molecular structure lightbox
CAS RN: 7315-93-7

9H-FLUORENE-4-CARBONYL CHLORIDE

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Batchno.20251122 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7315-93-7
  • Purity/Analytical Methods: >99.0%
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7315-93-7 / 9H-fluorene-4-carbonyl chloride

Standard CAS: 7315-93-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7315-93-7
Multi CAS
No
Molecular Formula
C14H9CLO
Molecular Weight
228.670000
Exact Mass
228.034193
InChI
InChI=1S/C14H9ClO/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8H2
InChIKey
HDQDDUVQIZXFNI-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
Molar refractivity
64.87
TPSA
17.07

LogP / Solubility

WLOGP
3.64
MLOGP
3.2
XLogP3
4.1
Consensus LogP
3.65
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
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)
-1.53

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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