CAS RN: 13114-29-9
SodiuM DeMethylcantharidate
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock3 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250516 | 1ml | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251210 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS13114-29-9
- Purity/Analytical Methods: >99.0%
13114-29-9 / disodium;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
Basic Information
CAS
13114-29-9
Multi CAS
No
Molecular Formula
C8H8Na2O5
Molecular Weight
230.130000
Exact Mass
230.016712
SMILES
C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKey
XRHVZWWRFMCBAZ-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
34.89
TPSA
89.49
LogP / Solubility
WLOGP
-8.71
MLOGP
-7.66
XLogP3
-8.71
Consensus LogP
-8.36
Log S (ESOL)
4.35
Class (ESOL)
Highly soluble
Log S (Ali)
4.84
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.84
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)
-10.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
