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CAS 27973-36-0 ETHYL 9-FLUORENYLIDENEACETATE molecular structure lightbox
CAS RN: 27973-36-0

ETHYL 9-FLUORENYLIDENEACETATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS27973-36-0
  • Purity/Analytical Methods: >99.0%
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27973-36-0 / ethyl 2-fluoren-9-ylideneacetate

Standard CAS: 27973-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27973-36-0
Multi CAS
No
Molecular Formula
C17H14O2
Molecular Weight
250.290000
Exact Mass
250.099380
SMILES
CCOC(=O)C=C1C2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C17H14O2/c1-2-19-17(18)11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11H,2H2,1H3
InChIKey
SCHVJDVNASXDFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
75.59
TPSA
26.3

LogP / Solubility

WLOGP
3.66
MLOGP
3.23
XLogP3
3.5
Consensus LogP
3.46
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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)
-1.65

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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