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CAS 32804-66-3 Methyl 3-butynoate molecular structure lightbox
CAS RN: 32804-66-3

Methyl 3-butynoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 100mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-138524
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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, 0.25g, 1g, 5g
  • 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 32804-66-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

32804-66-3 / methyl but-3-ynoate

Standard CAS: 32804-66-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32804-66-3
Multi CAS
Yes
Molecular Formula
C5H6O2
Molecular Weight
98.100000
Exact Mass
98.036779
InChI
InChI=1S/C5H6O2/c1-3-4-5(6)7-2/h1H,4H2,2H3
InChIKey
JGEGAAGXXWDCOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
25.47
TPSA
26.3

LogP / Solubility

WLOGP
0.18
MLOGP
0.15
XLogP3
0.3
Consensus LogP
0.21
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
Class (SILICOS-IT)
Very 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)
-3.19

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

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