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CAS 26063-00-3 POLY(3-HYDROXYBUTYRIC ACID) molecular structure lightbox
CAS RN: 26063-00-3

POLY(3-HYDROXYBUTYRIC ACID)

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 1g In stock Shanghai Inquiry
Batchno.20251216 250mg In stock Shanghai, Hebei Inquiry
  • Product code: starshine_CAS26063-00-3
  • Purity/Analytical Methods: >99.0%
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26063-00-3 / 3-hydroxybutanoic acid

Standard CAS: 26063-00-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26063-00-3
Multi CAS
No
Molecular Formula
C4H8O3
Molecular Weight
104.100000
Exact Mass
104.047344
SMILES
CC(CC(=O)O)O
InChI
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKey
WHBMMWSBFZVSSR-UHFFFAOYSA-N

Physical Properties

Physical Description
Hygroscopic liquid; [Merck Index] Clear, colorless to light yellow viscous liquid; Hygroscopic
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
23.93
TPSA
57.53

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.15
XLogP3
-0.5
Consensus LogP
-0.27
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
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)
-3.47

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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