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CAS 153053-19-1 (R)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 153053-19-1

(R)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE

  • Product code: SSC-062670
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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, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 153053-19-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
5g -- 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Beijing Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry

153053-19-1 / tert-butyl (4R)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate

Standard CAS: 153053-19-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153053-19-1
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CC1(N([C@@H](CO1)CC=O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-9(6-7-14)8-16-12(13,4)5/h7,9H,6,8H2,1-5H3/t9-/m1/s1
InChIKey
GAWRNYMYEGSVFV-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
62.57
TPSA
55.84

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1
Consensus LogP
1.56
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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