CAS RN: 507471-78-5
1,3-Dioxane-5-carboxylicacid,5-methyl-2-oxo-(9CI)
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250609 | 10g | Out of stock | Inquiry | ||
| Batchno.20250618 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20260604 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250504 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250405 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS507471-78-5
- Purity/Analytical Methods: >99.0%
507471-78-5 / 5-methyl-2-oxo-1,3-dioxane-5-carboxylic acid
Basic Information
CAS
507471-78-5
Multi CAS
No
Molecular Formula
C6H8O5
Molecular Weight
160.120000
Exact Mass
160.037173
InChI
InChI=1S/C6H8O5/c1-6(4(7)8)2-10-5(9)11-3-6/h2-3H2,1H3,(H,7,8)
InChIKey
VVVXQWXJTSMUBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.04
TPSA
72.83
LogP / Solubility
WLOGP
0.24
MLOGP
0.21
XLogP3
0.2
Consensus LogP
0.22
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.52
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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