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CAS 190080-34-3 methyl(4S)-2-(tert-butyl)oxazolidine-4-carboxylate molecular structure lightbox
CAS RN: 190080-34-3

methyl(4S)-2-(tert-butyl)oxazolidine-4-carboxylate

  • Product code: SSC-089027
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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: 4
  • 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 190080-34-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry

190080-34-3 / methyl (4S)-2-tert-butyl-1,3-oxazolidine-4-carboxylate

Standard CAS: 190080-34-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190080-34-3
Multi CAS
No
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
SMILES
CC(C)(C)C1N[C@@H](CO1)C(=O)OC
InChI
InChI=1S/C9H17NO3/c1-9(2,3)8-10-6(5-13-8)7(11)12-4/h6,8,10H,5H2,1-4H3/t6-,8?/m0/s1
InChIKey
FCOMFAAEZRWCKY-UUEFVBAFSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.13
TPSA
47.56

LogP / Solubility

WLOGP
0.52
MLOGP
0.46
XLogP3
1.3
Consensus LogP
0.76
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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