CAS RN: 1006-67-3
5-Phenylisoxazole
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260104 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-001209
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1006-67-3 / 5-phenyl-1,2-oxazole
Isoxazole, 5-phenyl- | NSC 195338 | DTXSID20143423
Basic Information
CAS
1006-67-3
Multi CAS
No
Molecular Formula
C9H7NO
Molecular Weight
145.160000
Exact Mass
145.052764
SMILES
C1=CC=C(C=C1)C2=CC=NO2
InChI
InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H
InChIKey
BXQDLEHCXQQSCH-UHFFFAOYSA-N
Synonyms
Isoxazole, 5-phenyl-
NSC 195338
DTXSID20143423
RefChem:150157
DTXCID7065914
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.94
TPSA
26.03
LogP / Solubility
WLOGP
2.34
MLOGP
2.05
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-1.94
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 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (92.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (92.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
