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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 1 In Stock | Beijing | Inquiry |
| 5g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 1 In Stock | Beijing | Inquiry |
| 25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
429673-79-0 / tert-butyl (3S,4S)-3-amino-4-methoxypyrrolidine-1-carboxylate
Basic Information
CAS
429673-79-0
Multi CAS
Yes
Molecular Formula
C10H20N2O3
Molecular Weight
216.280000
Exact Mass
216.147393
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-5-7(11)8(6-12)14-4/h7-8H,5-6,11H2,1-4H3/t7-,8-/m0/s1
InChIKey
STYSIWNZDIJKGC-YUMQZZPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.58
TPSA
64.79
LogP / Solubility
WLOGP
0.58
MLOGP
0.51
XLogP3
-0.1
Consensus LogP
0.33
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.75
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)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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