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CAS 130288-32-3 Tert-Butyl (2-Oxotetrahydrothiophen-3-Yl)Carbamate molecular structure lightbox
CAS RN: 130288-32-3

Tert-Butyl (2-Oxotetrahydrothiophen-3-Yl)Carbamate

  • Product code: SSC-036910
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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 130288-32-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

130288-32-3 / tert-butyl N-(2-oxothiolan-3-yl)carbamate

Standard CAS: 130288-32-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130288-32-3
Multi CAS
No
Molecular Formula
C9H15NO3S
Molecular Weight
217.290000
Exact Mass
217.077265
SMILES
CC(C)(C)OC(=O)NC1CCSC1=O
InChI
InChI=1S/C9H15NO3S/c1-9(2,3)13-8(12)10-6-4-5-14-7(6)11/h6H,4-5H2,1-3H3,(H,10,12)
InChIKey
IXUYHRLEDLSFSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.24
TPSA
55.4

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1
Consensus LogP
1.3
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-2.95

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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