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CAS 1008-75-9 3-METHYL-5-PHENYLISOXAZOLE molecular structure lightbox
CAS RN: 1008-75-9

3-METHYL-5-PHENYLISOXAZOLE

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260315 250mg / 1g / 5g / 10g / 25g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251026 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260307 1g In stock Shanghai Inquiry
Batchno.20250821 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260429 25g In stock Shenzhen, Tianjin Inquiry
Batchno.20260305 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-001524
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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: ＞97%
  • 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 1008-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1008-75-9 / 3-methyl-5-phenyl-1,2-oxazole

3-Methyl-5-phenylisoxazole | Isoxazole, 3-methyl-5-phenyl- | NSC 80670

Standard CAS: 1008-75-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1008-75-9
Multi CAS
No
Molecular Formula
C10H9NO
Molecular Weight
159.180000
Exact Mass
159.068414
SMILES
CC1=NOC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
FBYQIYSAUFWXQK-UHFFFAOYSA-N
Synonyms
3-Methyl-5-phenylisoxazole Isoxazole, 3-methyl-5-phenyl- NSC 80670 DTXSID10143518 RefChem:94798

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.68
TPSA
26.03

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-1.81

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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