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CAS 179686-38-5 1-Boc-3-Oxo-1,4-diazepane molecular structure lightbox
CAS RN: 179686-38-5

1-Boc-3-Oxo-1,4-diazepane

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250118 100mg In stock Inquiry
Batchno.20250831 1g In stock Inquiry
Batchno.20250524 250mg In stock Inquiry
Batchno.20260626 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250122 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251114 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250917 250mg In stock Wuhan, Chengdu Inquiry
Batchno.20250419 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250519 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-080056
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 5g, 0.1g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 179686-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

179686-38-5 / tert-butyl 3-oxo-1,4-diazepane-1-carboxylate

Standard CAS: 179686-38-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
179686-38-5
Multi CAS
No
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
SMILES
CC(C)(C)OC(=O)N1CCCNC(=O)C1
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-11-8(13)7-12/h4-7H2,1-3H3,(H,11,13)
InChIKey
ITRUBUQWGNAYGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.43
TPSA
58.64

LogP / Solubility

WLOGP
0.74
MLOGP
0.66
XLogP3
0.6
Consensus LogP
0.67
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.5

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
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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