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CAS 230283-16-6 5(4H)-Oxazolone,2-(2-thienyl)-(9CI) molecular structure lightbox
CAS RN: 230283-16-6

5(4H)-Oxazolone,2-(2-thienyl)-(9CI)

  • Product code: SSC-111810
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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 230283-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

230283-16-6 / 2-thiophen-2-yl-4H-1,3-oxazol-5-one

Standard CAS: 230283-16-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
230283-16-6
Multi CAS
No
Molecular Formula
C7H5NO2S
Molecular Weight
167.190000
Exact Mass
167.004100
SMILES
C1C(=O)OC(=N1)C2=CC=CS2
InChI
InChI=1S/C7H5NO2S/c9-6-4-8-7(10-6)5-2-1-3-11-5/h1-3H,4H2
InChIKey
AEIDYCBANJKKEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
41.82
TPSA
38.66

LogP / Solubility

WLOGP
1.05
MLOGP
0.92
XLogP3
1.5
Consensus LogP
1.16
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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