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CAS 216062-10-1 tert-butyl (3S,4S)-3-hydroxy-4-methyl-pyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 216062-10-1

tert-butyl (3S,4S)-3-hydroxy-4-methyl-pyrrolidine-1-carboxylate

  • Product code: SSC-103549
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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
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 216062-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

216062-10-1 / tert-butyl (3S,4S)-3-hydroxy-4-methylpyrrolidine-1-carboxylate

Standard CAS: 216062-10-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216062-10-1
Multi CAS
No
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
C[C@H]1CN(C[C@H]1O)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO3/c1-7-5-11(6-8(7)12)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKey
YMSRLPJZNWGMAM-JGVFFNPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.98
TPSA
49.77

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.1
Consensus LogP
1.14
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.99
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)
-3.07

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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