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CAS 1208-75-9 1-BENZYL-HEXAHYDRO-4H-AZEPIN-4-ONE molecular structure lightbox
CAS RN: 1208-75-9

1-BENZYL-HEXAHYDRO-4H-AZEPIN-4-ONE

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251008 1g In stock Inquiry
Batchno.20260519 250mg In stock Inquiry
Batchno.20260620 25g In stock Inquiry
Batchno.20250826 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260311 10g Out of stock Inquiry
Batchno.20260303 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250113 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250111 25g In stock Shenzhen Inquiry
Batchno.20260221 5g In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-022084
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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: 5g
  • 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 1208-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1208-75-9 / 1-benzylazepan-4-one

1-Benzyl-hexahydro-4H-azepin-4-one | RefChem:429999 | 899-186-1

Standard CAS: 1208-75-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1208-75-9
Multi CAS
No
Molecular Formula
C13H17NO
Molecular Weight
203.280000
Exact Mass
203.131014
SMILES
C1CC(=O)CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c15-13-7-4-9-14(10-8-13)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKey
RRVIUDRKTCAHQZ-UHFFFAOYSA-N
Synonyms
1-Benzyl-hexahydro-4H-azepin-4-one RefChem:429999 899-186-1 1-benzylazepan-4-one MFCD04038554

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.58
TPSA
20.31

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
1.6
Consensus LogP
1.94
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.37

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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