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CAS 600-18-0 2-Oxobutyric Acid molecular structure lightbox
CAS RN: 600-18-0

2-Oxobutyric Acid

  • Product code: SSC-168576
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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, 5g, 10g, 25g
  • 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 600-18-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

600-18-0 / 2-oxobutanoic acid

Standard CAS: 600-18-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
600-18-0
Multi CAS
Yes
Molecular Formula
C4H6O3
Molecular Weight
102.090000
Exact Mass
102.031694
InChI
InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
InChIKey
TYEYBOSBBBHJIV-UHFFFAOYSA-N

Physical Properties

Melting Point
33 °C
Density
1.200 (d20/4)
Physical Description
Colorless hygroscopic paste; mp = 32-34 deg C; Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
22.93
TPSA
54.37

LogP / Solubility

WLOGP
0.05
MLOGP
0.03
XLogP3
0.1
Consensus LogP
0.06
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
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)
-3.31

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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