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CAS 253324-91-3 1-aMino-3-Methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one molecular structure lightbox
CAS RN: 253324-91-3

1-aMino-3-Methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one

  • Product code: SSC-121216
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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: 0.25g
  • 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 253324-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

253324-91-3 / 5-amino-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one

Standard CAS: 253324-91-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
253324-91-3
Multi CAS
No
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
InChI
InChI=1S/C11H14N2O/c1-13-7-6-8-4-2-3-5-9(8)10(12)11(13)14/h2-5,10H,6-7,12H2,1H3
InChIKey
RETLCOJLSHBJEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.71
TPSA
46.33

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
0.5
Consensus LogP
0.61
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

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

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