CAS RN: 503-66-2
3-Hydroxypropionic Acid (contains varying amounts of 3,3′-Oxydipropionic Acid) (ca. 30% in Water, ca. 3.6mol/L)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260309 | 1g / 5g / 10g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: ICTH0297
503-66-2 / 3-hydroxypropanoic acid
Basic Information
CAS
503-66-2
Multi CAS
Yes
Molecular Formula
C3H6O3
Molecular Weight
90.080000
Exact Mass
90.031694
InChI
InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
InChIKey
ALRHLSYJTWAHJZ-UHFFFAOYSA-N
Physical Properties
Melting Point
< 25 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
19.34
TPSA
57.53
LogP / Solubility
WLOGP
-0.55
MLOGP
-0.49
XLogP3
-1
Consensus LogP
-0.68
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.03
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.66
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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