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CAS 33545-40-3 ETHYL 5-(2-FURYL)ISOXAZOLE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 33545-40-3

ETHYL 5-(2-FURYL)ISOXAZOLE-3-CARBOXYLATE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251119 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250327 250mg In stock Shenzhen Inquiry
Batchno.20260127 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-139691
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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: ＞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 33545-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

33545-40-3 / ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate

Standard CAS: 33545-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33545-40-3
Multi CAS
No
Molecular Formula
C10H9NO4
Molecular Weight
207.180000
Exact Mass
207.053158
InChI
InChI=1S/C10H9NO4/c1-2-13-10(12)7-6-9(15-11-7)8-4-3-5-14-8/h3-6H,2H2,1H3
InChIKey
KQWAZLUOYYQTIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
50.16
TPSA
65.47

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.7
Consensus LogP
1.89
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

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

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