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CAS 141642-82-2 ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 141642-82-2

ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250403 1g / 5g / 10g / 25g / 100g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260313 100g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260615 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250619 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250604 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250712 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250802 500g In stock Shanghai, Tianjin Inquiry
Batchno.20260523 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-052089
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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: 5g, 10g, 25g, 100g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 141642-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Shenzhen Inquiry
25g >95% 5 In Stock Beijing Inquiry
100g >95% 4 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

141642-82-2 / 1-O-tert-butyl 4-O-ethyl 5-oxoazepane-1,4-dicarboxylate

Standard CAS: 141642-82-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141642-82-2
Multi CAS
No
Molecular Formula
C14H23NO5
Molecular Weight
285.340000
Exact Mass
285.157623
SMILES
CCOC(=O)C1CCN(CCC1=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23NO5/c1-5-19-12(17)10-6-8-15(9-7-11(10)16)13(18)20-14(2,3)4/h10H,5-9H2,1-4H3
InChIKey
FGOJCPKOOGIRPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.79
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
72.17
TPSA
72.91

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.4
Consensus LogP
1.58
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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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