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CAS 1141427-74-8 Ethyl 3-(chloroMethyl)isoxazole-5-carboxylate molecular structure lightbox
CAS RN: 1141427-74-8

Ethyl 3-(chloroMethyl)isoxazole-5-carboxylate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 100mg In stock Shanghai Inquiry
Batchno.20251215 1g In stock Shanghai Inquiry
Batchno.20251029 250mg In stock Shanghai Inquiry
  • Product code: SSC-014011
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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 1141427-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1141427-74-8 / ethyl 3-(chloromethyl)-1,2-oxazole-5-carboxylate

Ethyl 3-(chloromethyl)isoxazole-5-carboxylate | MFCD20637793 | ethyl 3-(chloromethyl)-1,2-oxazole-5-carboxylate

Standard CAS: 1141427-74-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1141427-74-8
Multi CAS
No
Molecular Formula
C7H8ClNO3
Molecular Weight
189.590000
Exact Mass
189.019271
SMILES
CCOC(=O)C1=CC(=NO1)CCl
InChI
InChI=1S/C7H8ClNO3/c1-2-11-7(10)6-3-5(4-8)9-12-6/h3H,2,4H2,1H3
InChIKey
HGMAUHFCWCICEY-UHFFFAOYSA-N
Synonyms
Ethyl 3-(chloromethyl)isoxazole-5-carboxylate MFCD20637793 ethyl 3-(chloromethyl)-1,2-oxazole-5-carboxylate SCHEMBL15273790 RVB42774

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
42.02
TPSA
52.33

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.3
Consensus LogP
1.43
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501

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