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CAS 103318-73-6 3-(2,4-DICHLORO-5-FLUOROPHENYL)ISOXAZOLE molecular structure lightbox
CAS RN: 103318-73-6

3-(2,4-DICHLORO-5-FLUOROPHENYL)ISOXAZOLE

  • Product code: SSC-004762
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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 103318-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

103318-73-6 / 3-(2,4-dichloro-5-fluorophenyl)-1,2-oxazole

SCHEMBL9194290 | FJECNZWCPBGFPM-UHFFFAOYSA-N | AKOS014574532

Standard CAS: 103318-73-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103318-73-6
Multi CAS
Yes
Molecular Formula
C9H4Cl2FNO
Molecular Weight
232.030000
Exact Mass
230.965397
SMILES
C1=CON=C1C2=CC(=C(C=C2Cl)Cl)F
InChI
InChI=1S/C9H4Cl2FNO/c10-6-4-7(11)8(12)3-5(6)9-1-2-14-13-9/h1-4H
InChIKey
XQDCPMPMYPHRBJ-UHFFFAOYSA-N
Synonyms
SCHEMBL9194290 FJECNZWCPBGFPM-UHFFFAOYSA-N AKOS014574532 5-(2,4-dichloro-5-fluorophenyl)-isoxazole 5-(2,4-Dichloro-5-fluoro-phenyl)-isoxazole

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.92
TPSA
26.03

LogP / Solubility

WLOGP
3.79
MLOGP
3.34
XLogP3
3.4
Consensus LogP
3.51
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

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
1.5

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