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CAS 1170390-54-1 tert-Butyl 6-amino-1,4-oxazepane-4-carboxylate molecular structure lightbox
CAS RN: 1170390-54-1

tert-Butyl 6-amino-1,4-oxazepane-4-carboxylate

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250608 1g In stock Inquiry
Batchno.20250902 250mg In stock Inquiry
Batchno.20260523 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 100mg In stock Shanghai Inquiry
Batchno.20250901 1g In stock Shanghai Inquiry
Batchno.20250324 250mg In stock Shanghai Inquiry
  • Product code: SSC-016866
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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: 1g, 0.25g, 10g, 0.1g, 5g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 1170390-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
0.25g ≥97% 3 In Stock Hong Kong Inquiry
10g ≥97% 1 In Stock Beijing Inquiry
0.1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

1170390-54-1 / tert-butyl 6-amino-1,4-oxazepane-4-carboxylate

TERT-BUTYL 6-AMINO-1,4-OXAZEPANE-4-CARBOXYLATE | 4-Boc-6-Amino-1,4-oxazepane | 4-Boc-6-Amino-[1,4]oxazepane

Standard CAS: 1170390-54-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1170390-54-1
Multi CAS
Yes
Molecular Formula
C10H20N2O3
Molecular Weight
216.280000
Exact Mass
216.147393
SMILES
CC(C)(C)OC(=O)N1CCOCC(C1)N
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(11)6-12/h8H,4-7,11H2,1-3H3
InChIKey
QIAURBVQLIUTQH-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 6-AMINO-1,4-OXAZEPANE-4-CARBOXYLATE 4-Boc-6-Amino-1,4-oxazepane 4-Boc-6-Amino-[1,4]oxazepane MFCD12964084 1,4-Oxazepine-4(5H)-carboxylic acid, 6-aminotetrahydro-, 1,1-dimethylethyl ester

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.6
TPSA
64.79

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
-0.1
Consensus LogP
0.33
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.63

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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