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CAS 886756-67-8 7-BROMO-1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONE molecular structure lightbox
CAS RN: 886756-67-8

7-BROMO-1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS886756-67-8
  • Purity/Analytical Methods: >99.0%
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886756-67-8 / 7-bromo-1,5-dihydro-4,1-benzoxazepin-2-one

Standard CAS: 886756-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886756-67-8
Multi CAS
No
Molecular Formula
BC9H8O2Rn
Molecular Weight
242.070000
Exact Mass
240.973840
InChI
InChI=1S/C9H8BrNO2/c10-7-1-2-8-6(3-7)4-13-5-9(12)11-8/h1-3H,4-5H2,(H,11,12)
InChIKey
WSNHVMZMIOFLKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.43
TPSA
38.33

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.2
Consensus LogP
1.6
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

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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