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CAS 5469-16-9 (+/-)-3-HYDROXY-GAMMA-BUTYROLACTONE molecular structure lightbox
CAS RN: 5469-16-9

(+/-)-3-HYDROXY-GAMMA-BUTYROLACTONE

  • Product code: SSC-162496
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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: 0.25g, 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 5469-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

5469-16-9 / 4-hydroxyoxolan-2-one

Standard CAS: 5469-16-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5469-16-9
Multi CAS
Yes
Molecular Formula
C4H6O3
Molecular Weight
102.090000
Exact Mass
102.031694
InChI
InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2
InChIKey
FUDDLSHBRSNCBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
H-bond acceptors
3
H-bond donors
1
Molar refractivity
21.58
TPSA
46.53

LogP / Solubility

WLOGP
-0.71
MLOGP
-0.63
XLogP3
-0.8
Consensus LogP
-0.71
Log S (ESOL)
-0.03
Class (ESOL)
Very soluble
Log S (Ali)
0.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.26
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)
-3.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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