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CAS 22036-26-6 3-(4-Aminophenyl)oxazolidin-2-one molecular structure lightbox
CAS RN: 22036-26-6

3-(4-Aminophenyl)oxazolidin-2-one

  • Product code: SSC-105996
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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 22036-26-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

22036-26-6 / 3-(4-aminophenyl)-1,3-oxazolidin-2-one

Standard CAS: 22036-26-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22036-26-6
Multi CAS
No
Molecular Formula
C9H10N2O2
Molecular Weight
178.190000
Exact Mass
178.074228
SMILES
C1COC(=O)N1C2=CC=C(C=C2)N
InChI
InChI=1S/C9H10N2O2/c10-7-1-3-8(4-2-7)11-5-6-13-9(11)12/h1-4H,5-6,10H2
InChIKey
DDCWSJXZZUOJRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.55
TPSA
55.56

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
0.8
Consensus LogP
1.04
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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