Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1000g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1000g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
6100-20-5 / potassium;2-hydroxy-2-oxoacetate;oxalic acid;dihydrate
Basic Information
CAS
6100-20-5
Multi CAS
Yes
Molecular Formula
C4H7KO10
Molecular Weight
254.190000
Exact Mass
253.967628
InChI
InChI=1S/2C2H2O4.K.2H2O/c2*3-1(4)2(5)6;;;/h2*(H,3,4)(H,5,6);;2*1H2/q;;+1;;/p-1
InChIKey
KPFHSTZUXXJAES-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
15
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
35.14
TPSA
215.03
LogP / Solubility
WLOGP
-7.67
MLOGP
-6.74
XLogP3
-7.67
Consensus LogP
-7.36
Log S (ESOL)
3.42
Class (ESOL)
Highly soluble
Log S (Ali)
3.89
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.05
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)
-9.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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