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CAS 6487-67-8 5-METHYL-10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPINE-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 6487-67-8

5-METHYL-10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPINE-2-CARBALDEHYDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS6487-67-8
  • Purity/Analytical Methods: >99.0%
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6487-67-8 / 11-methyl-5,6-dihydrobenzo[b][1]benzazepine-3-carbaldehyde

Standard CAS: 6487-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6487-67-8
Multi CAS
No
Molecular Formula
C16H15NO
Molecular Weight
237.300000
Exact Mass
237.115364
InChI
InChI=1S/C16H15NO/c1-17-15-5-3-2-4-13(15)7-8-14-10-12(11-18)6-9-16(14)17/h2-6,9-11H,7-8H2,1H3
InChIKey
SFMUVVDAWXLPFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
73.74
TPSA
20.31

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
3.4
Consensus LogP
3.25
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

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

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