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CAS 213024-76-1 6H-DIBENZ[B,D]AZEPIN-6-ONE, 7-AMINO-5,7-DIHYDRO-5-METHYL- molecular structure lightbox
CAS RN: 213024-76-1

6H-DIBENZ[B,D]AZEPIN-6-ONE, 7-AMINO-5,7-DIHYDRO-5-METHYL-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-101731
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 213024-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

213024-76-1 / 7-amino-5-methyl-7H-benzo[d][1]benzazepin-6-one

Standard CAS: 213024-76-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
213024-76-1
Multi CAS
No
Molecular Formula
C15H14N2O
Molecular Weight
238.280000
Exact Mass
238.110613
SMILES
CN1C2=CC=CC=C2C3=CC=CC=C3C(C1=O)N
InChI
InChI=1S/C15H14N2O/c1-17-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16)15(17)18/h2-9,14H,16H2,1H3
InChIKey
SWCIHHYNMAJVKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.22
TPSA
46.33

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
1.8
Consensus LogP
2.06
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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