CAS RN: 1630815-52-9
tert-butyl (2R)-2-(aminomethyl)-2-propylpyrrolidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260616 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-070714
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: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1630815-52-9 / tert-butyl (2R)-2-(aminomethyl)-2-propylpyrrolidine-1-carboxylate
Basic Information
CAS
1630815-52-9
Multi CAS
No
Molecular Formula
C13H26N2O2
Molecular Weight
242.360000
Exact Mass
242.199428
SMILES
CCC[C@@]1(CCCN1C(=O)OC(C)(C)C)CN
InChI
InChI=1S/C13H26N2O2/c1-5-7-13(10-14)8-6-9-15(13)11(16)17-12(2,3)4/h5-10,14H2,1-4H3/t13-/m1/s1
InChIKey
XPLZPXOEANKHEL-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.87
TPSA
55.56
LogP / Solubility
WLOGP
2.51
MLOGP
2.22
XLogP3
1.8
Consensus LogP
2.18
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
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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