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CAS 359004-20-9 Carbamic acid, (3-oxo-4-isoxazolidinyl)-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 359004-20-9

Carbamic acid, (3-oxo-4-isoxazolidinyl)-, 1,1-dimethylethyl ester (9CI)

  • Product code: SSC-142987
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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 359004-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

359004-20-9 / tert-butyl N-(3-oxo-1,2-oxazolidin-4-yl)carbamate

Standard CAS: 359004-20-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
359004-20-9
Multi CAS
No
Molecular Formula
C8H14N2O4
Molecular Weight
202.210000
Exact Mass
202.095357
InChI
InChI=1S/C8H14N2O4/c1-8(2,3)14-7(12)9-5-4-13-10-6(5)11/h5H,4H2,1-3H3,(H,9,12)(H,10,11)
InChIKey
VNNOMGVHZFZWLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.25
TPSA
76.66

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.05
XLogP3
0.1
Consensus LogP
0.0000
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-4

Drug-likeness / Medicinal Chemistry

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

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