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CAS 10557-85-4 4-Iodo-3,5-dimethylisoxazole molecular structure lightbox
CAS RN: 10557-85-4

4-Iodo-3,5-dimethylisoxazole

Product Availability

Choose a grade to view its available package options.

10 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260228 100g In stock Inquiry
Batchno.20250314 10g Out of stock Inquiry
Batchno.20250602 1g In stock Inquiry
Batchno.20250216 25g In stock Inquiry
Batchno.20250913 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250908 10g Out of stock Inquiry
Batchno.20251221 25g In stock Shenzhen Inquiry
Batchno.20250626 500g Out of stock Inquiry
Batchno.20260227 5g In stock Shanghai Inquiry
  • Product code: SSC-007284
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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, 5g, 10g, 25g
  • 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 10557-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

10557-85-4 / 4-iodo-3,5-dimethyl-1,2-oxazole

4-iodo-3,5-dimethyl-1,2-oxazole | RefChem:524189 | 675-469-3

Standard CAS: 10557-85-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10557-85-4
Multi CAS
Yes
Molecular Formula
C5H6INO
Molecular Weight
223.010000
Exact Mass
222.949410
SMILES
CC1=C(C(=NO1)C)I
InChI
InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKey
NMNOXVWRJISEFE-UHFFFAOYSA-N
Synonyms
4-iodo-3,5-dimethyl-1,2-oxazole RefChem:524189 675-469-3 3,5-Dimethyl-4-iodoisoxazole 4-Iodo-3,5-dimethylisoxazole

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
2
Molar refractivity
38.69
TPSA
26.03

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
1.8
Consensus LogP
1.79
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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