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CAS 449-55-8 6,11-DIHYDRO-5H-DIBENZO[B,E]AZEPINE molecular structure lightbox
CAS RN: 449-55-8

6,11-DIHYDRO-5H-DIBENZO[B,E]AZEPINE

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250319 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250715 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS449-55-8
  • Purity/Analytical Methods: >99.0%
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449-55-8 / 6,11-dihydro-5H-benzo[c][1]benzazepine

Standard CAS: 449-55-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
449-55-8
Multi CAS
Yes
Molecular Formula
C14H13N
Molecular Weight
195.260000
Exact Mass
195.104799
InChI
InChI=1S/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,15H,9-10H2
InChIKey
YSHVGIKWUJCBLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.02
TPSA
12.03

LogP / Solubility

WLOGP
3.2
MLOGP
2.82
XLogP3
2.9
Consensus LogP
2.97
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64

Drug-likeness / Medicinal Chemistry

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

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