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CAS 425663-71-4 2H-3-Benzazepin-2-one, 1-amino-1,3,4,5-tetrahydro-3-methyl-, hydrochloride (1:1), (1S)- molecular structure lightbox
CAS RN: 425663-71-4

2H-3-Benzazepin-2-one, 1-amino-1,3,4,5-tetrahydro-3-methyl-, hydrochloride (1:1), (1S)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251226 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-150896
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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 425663-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

425663-71-4 / (5S)-5-amino-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride

Standard CAS: 425663-71-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
425663-71-4
Multi CAS
Yes
Molecular Formula
C11H15CLN2O
Molecular Weight
226.700000
Exact Mass
226.087291
InChI
InChI=1S/C11H14N2O.ClH/c1-13-7-6-8-4-2-3-5-9(8)10(12)11(13)14;/h2-5,10H,6-7,12H2,1H3;1H/t10-;/m0./s1
InChIKey
SZVBAHZVILUGKF-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.96
TPSA
46.33

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1.12
Consensus LogP
1.08
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
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)
-3.31

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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