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CAS 197658-50-7 [S-(R*,R*)]-1,3,4,5-Tetrahydro-3-[(1-phenylethyl)amino]-2H-1-benzazepin-2-one molecular structure lightbox
CAS RN: 197658-50-7

[S-(R*,R*)]-1,3,4,5-Tetrahydro-3-[(1-phenylethyl)amino]-2H-1-benzazepin-2-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251011 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-093192
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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 197658-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

197658-50-7 / (3S)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Standard CAS: 197658-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197658-50-7
Multi CAS
No
Molecular Formula
C18H20N2O
Molecular Weight
280.400000
Exact Mass
280.157563
SMILES
C[C@@H](C1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3NC2=O
InChI
InChI=1S/C18H20N2O/c1-13(14-7-3-2-4-8-14)19-17-12-11-15-9-5-6-10-16(15)20-18(17)21/h2-10,13,17,19H,11-12H2,1H3,(H,20,21)/t13-,17-/m0/s1
InChIKey
JGHYNVSYTNERGK-GUYCJALGSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
85.17
TPSA
41.13

LogP / Solubility

WLOGP
3.29
MLOGP
2.91
XLogP3
3
Consensus LogP
3.07
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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