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CAS 917878-65-0 7-BROMO-3-CHLORO-5H-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDIN-5-ONE molecular structure lightbox
CAS RN: 917878-65-0

7-BROMO-3-CHLORO-5H-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDIN-5-ONE

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 100mg Out of stock Inquiry
Batchno.20251005 100mg / 250mg / 1g Out of stock 15 business days Inquiry
Batchno.20251212 1g Out of stock Inquiry
Batchno.20260313 250mg Out of stock Inquiry
  • Product code: starshine_CAS917878-65-0
  • Purity/Analytical Methods: >99.0%
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917878-65-0 / 14-bromo-5-chloro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one

Standard CAS: 917878-65-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
917878-65-0
Multi CAS
Yes
Molecular Formula
C14H7BRCLNO
Molecular Weight
320.570000
Exact Mass
318.939950
InChI
InChI=1S/C14H7BrClNO/c15-9-3-1-8-2-4-13-12(6-10(16)7-17-13)14(18)11(8)5-9/h1-7H
InChIKey
BREDBBFHVAQHCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
H-bond acceptors
2
Molar refractivity
78.23
TPSA
29.96

LogP / Solubility

WLOGP
4.16
MLOGP
3.68
XLogP3
4.1
Consensus LogP
3.98
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

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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