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CAS 154195-30-9 1H-Azepine-2,5-dione, tetrahydro-1-(phenylMethyl)- molecular structure lightbox
CAS RN: 154195-30-9

1H-Azepine-2,5-dione, tetrahydro-1-(phenylMethyl)-

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 100mg In stock Shanghai Inquiry
Batchno.20260414 1g Out of stock Inquiry
Batchno.20250220 250mg In stock Shanghai Inquiry
  • Product code: SSC-063563
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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 154195-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

154195-30-9 / 1-benzylazepane-2,5-dione

Standard CAS: 154195-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154195-30-9
Multi CAS
No
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
SMILES
C1CC(=O)N(CCC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H15NO2/c15-12-6-7-13(16)14(9-8-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
CTOCTUGUWVAJRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.72
TPSA
37.38

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
0.6
Consensus LogP
1.31
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately 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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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