CAS RN: 18465-71-9
2-C-Methyl-D-erythrono-1,4-lactone
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.20251206 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS18465-71-9
- Purity/Analytical Methods: >99.0%
18465-71-9 / (3R,4R)-3,4-dihydroxy-3-methyloxolan-2-one
Basic Information
CAS
18465-71-9
Multi CAS
No
Molecular Formula
C5H8O4
Molecular Weight
132.110000
Exact Mass
132.042259
SMILES
C[C@]1([C@@H](COC1=O)O)O
InChI
InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m1/s1
InChIKey
OHTGZAWPVDWARE-NQXXGFSBSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
27.59
TPSA
66.76
LogP / Solubility
WLOGP
-1.34
MLOGP
-1.19
XLogP3
-1.2
Consensus LogP
-1.24
Log S (ESOL)
0.19
Class (ESOL)
Highly soluble
Log S (Ali)
0.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.6
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)
-4.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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