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CAS 16880-23-2 methyl 3-(3-methoxyisoxazol-5-yl)propanoate molecular structure lightbox
CAS RN: 16880-23-2

methyl 3-(3-methoxyisoxazol-5-yl)propanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-073531
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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: 0.1g
  • 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 16880-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

16880-23-2 / methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate

Standard CAS: 16880-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16880-23-2
Multi CAS
No
Molecular Formula
C8H11NO4
Molecular Weight
185.180000
Exact Mass
185.068808
SMILES
COC1=NOC(=C1)CCC(=O)OC
InChI
InChI=1S/C8H11NO4/c1-11-7-5-6(13-9-7)3-4-8(10)12-2/h5H,3-4H2,1-2H3
InChIKey
HHLDOLOHISCNGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
43.39
TPSA
61.56

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
0.8
Consensus LogP
0.76
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
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)
-3.29

Drug-likeness / Medicinal Chemistry

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

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