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CAS 256-81-5 5H-dibenzo[a,d]cycloheptene molecular structure lightbox
CAS RN: 256-81-5

5H-dibenzo[a,d]cycloheptene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS256-81-5
  • Purity/Analytical Methods: >99.0%
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256-81-5 / tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

Standard CAS: 256-81-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
256-81-5
Multi CAS
No
Molecular Formula
C15H12
Molecular Weight
192.250000
Exact Mass
192.093900
SMILES
C1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C15H12/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-10H,11H2
InChIKey
QPJORFLSOJAUNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.07
Molar refractivity
64.62
TPSA
0.0000

LogP / Solubility

WLOGP
3.76
MLOGP
3.31
XLogP3
4.3
Consensus LogP
3.79
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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