CAS RN: 17087-75-1
(2S,3S)-2,3-Epoxysuccinic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250822 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS17087-75-1
- Purity/Analytical Methods: >99.0%
17087-75-1 / (2S,3S)-oxirane-2,3-dicarboxylic acid
Basic Information
CAS
17087-75-1
Multi CAS
No
Molecular Formula
C4H4O5
Molecular Weight
132.070000
Exact Mass
132.005873
SMILES
[C@H]1([C@H](O1)C(=O)O)C(=O)O
InChI
InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m0/s1
InChIKey
DCEMCPAKSGRHCN-LWMBPPNESA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
23.93
TPSA
87.13
LogP / Solubility
WLOGP
-1.08
MLOGP
-0.96
XLogP3
-0.9
Consensus LogP
-0.98
Log S (ESOL)
0.15
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.14
Class (SILICOS-IT)
Highly 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)
-4.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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