[email protected]
CAS 137036-54-5 (3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one molecular structure lightbox
CAS RN: 137036-54-5

(3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250707 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250512 1g Out of stock Inquiry
Batchno.20250817 250mg Out of stock Inquiry
  • Product code: SSC-046542
GET A QUOTE
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
Request Bulk Quote

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 137036-54-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

137036-54-5 / (3S)-3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one

Standard CAS: 137036-54-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137036-54-5
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
SMILES
C1CC2=CC=CC=C2NC(=O)[C@H]1N
InChI
InChI=1S/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)/t8-/m0/s1
InChIKey
AUAKXRGQXZRTQC-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.37
TPSA
55.12

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.6
Consensus LogP
0.76
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us