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CAS 1188023-03-1 3-(2,6-difluorophenyl)-1,2-oxazol-5-ol molecular structure lightbox
CAS RN: 1188023-03-1

3-(2,6-difluorophenyl)-1,2-oxazol-5-ol

  • Product code: SSC-018909
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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 1188023-03-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1188023-03-1 / 3-(2,6-difluorophenyl)-2H-1,2-oxazol-5-one

3-(2,6-Difluorophenyl)-1,2-oxazol-5-ol | 3-(2,6-Difluorophenyl)-5-hydroxyisoxazole | 3-(2,6-Difluorophenyl)isoxazol-5-ol

Standard CAS: 1188023-03-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188023-03-1
Multi CAS
No
Molecular Formula
C9H5F2NO2
Molecular Weight
197.140000
Exact Mass
197.028835
SMILES
C1=CC(=C(C(=C1)F)C2=CC(=O)ON2)F
InChI
InChI=1S/C9H5F2NO2/c10-5-2-1-3-6(11)9(5)7-4-8(13)14-12-7/h1-4,12H
InChIKey
HWCJKJUBIMYWHO-UHFFFAOYSA-N
Synonyms
3-(2,6-Difluorophenyl)-1,2-oxazol-5-ol 3-(2,6-Difluorophenyl)-5-hydroxyisoxazole 3-(2,6-Difluorophenyl)isoxazol-5-ol MFCD21334974 3-(2,6-Difluorophenyl)-5-isoxazolol

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.68
TPSA
46

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
2.1
Consensus LogP
1.9
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

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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