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CAS 7396-21-6 1-(anthracen-1-yl)ethanone molecular structure lightbox
CAS RN: 7396-21-6

1-(anthracen-1-yl)ethanone

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260223 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
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Batchno.20250525 100mg Out of stock Inquiry
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Batchno.20260625 250mg In stock Shenzhen Inquiry
Batchno.20250628 5g Out of stock Inquiry
  • Product code: starshine_CAS7396-21-6
  • Purity/Analytical Methods: >99.0%
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7396-21-6 / 1-anthracen-1-ylethanone

Standard CAS: 7396-21-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7396-21-6
Multi CAS
No
Molecular Formula
C16H12O
Molecular Weight
220.260000
Exact Mass
220.088815
InChI
InChI=1S/C16H12O/c1-11(17)15-8-4-7-14-9-12-5-2-3-6-13(12)10-16(14)15/h2-10H,1H3
InChIKey
MGRRZBKEFOXFRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
71.46
TPSA
17.07

LogP / Solubility

WLOGP
4.2
MLOGP
3.69
XLogP3
4.1
Consensus LogP
4
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

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

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