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CAS 3639-21-2 2-ETHYL-2-HYDROXYBUTYRIC ACID molecular structure lightbox
CAS RN: 3639-21-2

2-ETHYL-2-HYDROXYBUTYRIC ACID

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 1g In stock Shanghai, Hebei Inquiry
Batchno.20260616 250mg In stock Shanghai, Guangdong, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS3639-21-2
  • Purity/Analytical Methods: >99.0%
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3639-21-2 / 2-ethyl-2-hydroxybutanoic acid

Standard CAS: 3639-21-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3639-21-2
Multi CAS
Yes
Molecular Formula
C6H12O3
Molecular Weight
132.160000
Exact Mass
132.078644
InChI
InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
InChIKey
LXVSANCQXSSLPA-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.17
TPSA
57.53

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
0.8
Consensus LogP
0.65
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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