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CAS 148260-94-0 (3R,4S)-3-Amino-4-methoxy-pyrrolidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 148260-94-0

(3R,4S)-3-Amino-4-methoxy-pyrrolidine-1-carboxylic acid tert-butyl ester

  • Product code: SSC-058633
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 148260-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

148260-94-0 / tert-butyl (3R,4S)-3-amino-4-methoxypyrrolidine-1-carboxylate

Standard CAS: 148260-94-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148260-94-0
Multi CAS
No
Molecular Formula
C10H20N2O3
Molecular Weight
216.280000
Exact Mass
216.147393
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H](C1)OC)N
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+/m1/s1
InChIKey
STYSIWNZDIJKGC-SFYZADRCSA-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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