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CAS 15128-50-4 Dibenz[b,e]oxepine-6,11-dione molecular structure lightbox
CAS RN: 15128-50-4

Dibenz[b,e]oxepine-6,11-dione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250909 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15128-50-4
  • Purity/Analytical Methods: >99.0%
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15128-50-4 / benzo[c][1]benzoxepine-6,11-dione

Standard CAS: 15128-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15128-50-4
Multi CAS
No
Molecular Formula
C14H8O3
Molecular Weight
224.210000
Exact Mass
224.047344
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3OC2=O
InChI
InChI=1S/C14H8O3/c15-13-9-5-1-2-6-10(9)14(16)17-12-8-4-3-7-11(12)13/h1-8H
InChIKey
YOKBSFKAGIUKJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
H-bond acceptors
3
Molar refractivity
66.26
TPSA
47.28

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.8
Consensus LogP
2.38
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
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)
-2.45

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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