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CAS 1267772-21-3 2-Ethyl-5-fluorobenzoxazole molecular structure lightbox
CAS RN: 1267772-21-3

2-Ethyl-5-fluorobenzoxazole

  • Product code: SSC-033951
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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: 5g
  • 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 1267772-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1267772-21-3 / 2-ethyl-5-fluoro-1,3-benzoxazole

Standard CAS: 1267772-21-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1267772-21-3
Multi CAS
No
Molecular Formula
C9H8FNO
Molecular Weight
165.160000
Exact Mass
165.058992
SMILES
CCC1=NC2=C(O1)C=CC(=C2)F
InChI
InChI=1S/C9H8FNO/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h3-5H,2H2,1H3
InChIKey
KFURGRRJIRKXAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.35
TPSA
26.03

LogP / Solubility

WLOGP
2.53
MLOGP
2.22
XLogP3
2.7
Consensus LogP
2.48
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-1.93

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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