CAS RN: 7778-49-6
1,2,3-Propanetricarboxylicacid,2-hydroxy-,potassiumsalt
- Product code: SSC-187279
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: 500g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 500g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
7778-49-6 / tripotassium;2-hydroxypropane-1,2,3-tricarboxylate
Basic Information
CAS
7778-49-6
Multi CAS
Yes
Molecular Formula
C6H5K3O7
Molecular Weight
306.390000
Exact Mass
305.894647
InChI
InChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKey
QEEAPRPFLLJWCF-UHFFFAOYSA-K
Physical Properties
Physical Description
Liquid; NKRA
Liquid; Dry Powder
White, hygroscopic, granular powder or transparent crystals
Monohydrate: White odorless solid; [Merck Index] White odorless crystalline granules
Appearance
WHITE CRYSTALS, GRANULES, OR POWDER
TRANSPARENT CRYSTALS
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
29.2
TPSA
140.62
LogP / Solubility
WLOGP
-14.24
MLOGP
-12.52
XLogP3
-14.24
Consensus LogP
-13.67
Log S (ESOL)
7.56
Class (ESOL)
Highly soluble
Log S (Ali)
8.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
9.57
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)
-14.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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