CAS RN: 1032684-85-7
3-AMino-azepane-1-carboxylic acid tert-butyl ester
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-004709
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: 10g, 5g, 0.25g, 1g, 25g, 0.1g, 100g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 2 In Stock | Beijing | Inquiry |
| 25g | >95% | 2 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 100g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1032684-85-7 / tert-butyl (3R)-3-aminoazepane-1-carboxylate
tert-butyl 3-aminoazepane-1-carboxylate | DTXSID10630190 | RefChem:383362
Basic Information
CAS
1032684-85-7
Multi CAS
Yes
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
CC(C)(C)OC(=O)N1CCCC[C@H](C1)N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(12)8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKey
WXWILWLHHQGUCX-SECBINFHSA-N
Synonyms
tert-butyl 3-aminoazepane-1-carboxylate
DTXSID10630190
RefChem:383362
DTXCID90580942
817-932-6
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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