CAS RN: 13095-48-2
(2S)-2-hydroxypentanedioic 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.20250608 | 10mg | In stock | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: starshine_CAS13095-48-2
- Purity/Analytical Methods: >99.0%
13095-48-2 / (2S)-2-hydroxypentanedioic acid
Basic Information
CAS
13095-48-2
Multi CAS
No
Molecular Formula
C5H8O5
Molecular Weight
148.110000
Exact Mass
148.037173
SMILES
C(CC(=O)O)[C@@H](C(=O)O)O
InChI
InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey
HWXBTNAVRSUOJR-VKHMYHEASA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
30.51
TPSA
94.83
LogP / Solubility
WLOGP
-0.7
MLOGP
-0.63
XLogP3
-1
Consensus LogP
-0.78
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
