CAS RN: 625-71-8
3-Hydroxybutyric acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS625-71-8
- Purity/Analytical Methods: >99.0%
625-71-8 / 3-hydroxybutanoic acid
Basic Information
CAS
625-71-8
Multi CAS
Yes
Molecular Formula
C4H8O3
Molecular Weight
104.100000
Exact Mass
104.047344
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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- CAS RN: 625-89-8
- Product Code: starshine_CAS625-89-8
- Purity/Analytical method: >99.0%
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