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CAS 38628-65-8 2-Hydroxy-3-butynoic Acid molecular structure lightbox
CAS RN: 38628-65-8

2-Hydroxy-3-butynoic Acid

  • Product code: SSC-146253
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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 38628-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

38628-65-8 / 2-hydroxybut-3-ynoic acid

Standard CAS: 38628-65-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38628-65-8
Multi CAS
No
Molecular Formula
C4H4O3
Molecular Weight
100.070000
Exact Mass
100.016044
InChI
InChI=1S/C4H4O3/c1-2-3(5)4(6)7/h1,3,5H,(H,6,7)
InChIKey
LWNHDEQKHFRYMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
22.48
TPSA
57.53

LogP / Solubility

WLOGP
-0.93
MLOGP
-0.83
XLogP3
-0.5
Consensus LogP
-0.75
Log S (ESOL)
0.19
Class (ESOL)
Highly soluble
Log S (Ali)
0.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.99

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
2

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