CAS RN: 45521-08-2
(S)-Oxazolidine-4-carboxylic 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.20260322 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS45521-08-2
- Purity/Analytical Methods: >99.0%
45521-08-2 / (4S)-1,3-oxazolidine-4-carboxylic acid
Basic Information
CAS
45521-08-2
Multi CAS
Yes
Molecular Formula
C4H7NO3
Molecular Weight
117.100000
Exact Mass
117.042593
InChI
InChI=1S/C4H7NO3/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKey
XFZIPCXDWCWTCH-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
25.38
TPSA
58.56
LogP / Solubility
WLOGP
-0.98
MLOGP
-0.88
XLogP3
-3.1
Consensus LogP
-1.65
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.27
Class (SILICOS-IT)
Highly 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)
-4.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
