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CAS 56296-18-5 11-Piperazinyldibenzo[b,e][1,4]diazepine molecular structure lightbox
CAS RN: 56296-18-5

11-Piperazinyldibenzo[b,e][1,4]diazepine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS56296-18-5
  • Purity/Analytical Methods: >99.0%
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56296-18-5 / 6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine

Standard CAS: 56296-18-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56296-18-5
Multi CAS
Yes
Molecular Formula
C17H18N4
Molecular Weight
278.350000
Exact Mass
278.153147
InChI
InChI=1S/C17H18N4/c1-2-6-14-13(5-1)17(21-11-9-18-10-12-21)20-16-8-4-3-7-15(16)19-14/h1-8,18-19H,9-12H2
InChIKey
JCBYXNSOLUVGTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.81
TPSA
39.66

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2
Consensus LogP
2.38
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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