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CAS 13761-32-5 2-Acetyldibenzofuran molecular structure lightbox
CAS RN: 13761-32-5

2-Acetyldibenzofuran

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13761-32-5
  • Purity/Analytical Methods: >99.0%
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13761-32-5 / 1-dibenzofuran-2-ylethanone

Standard CAS: 13761-32-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13761-32-5
Multi CAS
No
Molecular Formula
C14H10O2
Molecular Weight
210.230000
Exact Mass
210.068080
SMILES
CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32
InChI
InChI=1S/C14H10O2/c1-9(15)10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14/h2-8H,1H3
InChIKey
QZSVCHFRQANVHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
63.72
TPSA
30.21

LogP / Solubility

WLOGP
3.79
MLOGP
3.34
XLogP3
3.8
Consensus LogP
3.64
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
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)
-1.31

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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