![CAS 1946010-90-7 D-Proline, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-, (4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1946010-90-7.gif)
CAS RN: 1946010-90-7
D-Proline, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-, (4R)-
- Product code: SSC-091802
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 | Shenzhen | Inquiry |
1946010-90-7 / (2R,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
Basic Information
CAS
1946010-90-7
Multi CAS
No
Molecular Formula
C11H20N2O4
Molecular Weight
244.290000
Exact Mass
244.142307
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](N(C1)C)C(=O)O
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15)/t7-,8-/m1/s1
InChIKey
AZGABNOEFBPTEM-HTQZYQBOSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.83
TPSA
78.87
LogP / Solubility
WLOGP
0.67
MLOGP
0.59
XLogP3
-1.5
Consensus LogP
-0.08
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.74
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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![CAS 1946010-92-9 methyl rel-(1r,3s)-3-{[(tert-butoxy)carbonyl]amino}-1-methylcyclobutane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB03122019(1).gif)
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