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CAS 56816-01-4 Ethyl (S)-(+)-3-Hydroxybutyrate molecular structure lightbox
CAS RN: 56816-01-4

Ethyl (S)-(+)-3-Hydroxybutyrate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 10g Out of stock Inquiry
Batchno.20260418 25g In stock Inquiry
Batchno.20250607 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250507 1ml / 5ml / 25ml / 100ml Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-164831
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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: 100g
  • 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 56816-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

56816-01-4 / ethyl 3-hydroxybutanoate

Standard CAS: 56816-01-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
56816-01-4
Multi CAS
Yes
Molecular Formula
C6H12O3
Molecular Weight
132.160000
Exact Mass
132.078644
InChI
InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
InChIKey
OMSUIQOIVADKIM-UHFFFAOYSA-N

Physical Properties

Boiling Point
338 °F at 760 mmHg (NTP, 1992) 170.00 to 175.00 °C. @ 760.00 mm Hg
Density
1.017 (NTP, 1992) - Denser than water; will sink 1.010-1.017
Physical Description
Ethyl 3-hydroxybutyrate is a clear colorless liquid. (NTP, 1992) colourless viscous liquid with fruity grape green odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.93
TPSA
46.53

LogP / Solubility

WLOGP
0.32
MLOGP
0.27
XLogP3
0.2
Consensus LogP
0.26
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
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)
-3.3

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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