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CAS 1174020-26-8 (R)-tert-butyl 4-aMinoazepane-1-carboxylate molecular structure lightbox
CAS RN: 1174020-26-8

(R)-tert-butyl 4-aMinoazepane-1-carboxylate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251007 100mg In stock Shanghai Inquiry
Batchno.20250522 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250110 250mg In stock Shanghai Inquiry
Batchno.20251004 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260108 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-017248
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • 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 1174020-26-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Hong Kong Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1174020-26-8 / tert-butyl (4R)-4-aminoazepane-1-carboxylate

tert-butyl 4-aminoazepane-1-carboxylate | DTXSID50596741 | RefChem:383582

Standard CAS: 1174020-26-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1174020-26-8
Multi CAS
Yes
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](CC1)N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(12)6-8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKey
YCOKHOLOSGJEGL-SECBINFHSA-N
Synonyms
tert-butyl 4-aminoazepane-1-carboxylate DTXSID50596741 RefChem:383582 DTXCID20547503 820-115-7

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.63
TPSA
55.56

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.8

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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