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CAS 145625-08-7 4-Methyl 2-Tert-Butyloxazolidine-3,4-Dicarboxylate molecular structure lightbox
CAS RN: 145625-08-7

4-Methyl 2-Tert-Butyloxazolidine-3,4-Dicarboxylate

  • Product code: SSC-056902
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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: ≥95%
  • 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 145625-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

145625-08-7 / 3-O-tert-butyl 4-O-methyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate

Standard CAS: 145625-08-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145625-08-7
Multi CAS
No
Molecular Formula
C14H25NO5
Molecular Weight
287.350000
Exact Mass
287.173273
SMILES
CC(C)(C)[C@@H]1N([C@@H](CO1)C(=O)OC)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO5/c1-13(2,3)11-15(12(17)20-14(4,5)6)9(8-19-11)10(16)18-7/h9,11H,8H2,1-7H3/t9-,11+/m0/s1
InChIKey
GZAZHWGEIRAXKK-GXSJLCMTSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
73.07
TPSA
65.07

LogP / Solubility

WLOGP
2.17
MLOGP
1.92
XLogP3
2.6
Consensus LogP
2.23
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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