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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1198-77-2 / sodium 2,6-dioxo-3,7-dihydropurin-8-olate
Uric acid, sodium salt | U-6350
Basic Information
CAS
1198-77-2
Multi CAS
Yes
Molecular Formula
C5H3N4NaO3
Molecular Weight
190.090000
Exact Mass
190.010284
SMILES
C12=C(NC(=O)NC1=O)N=C(N2)[O-].[Na+]
InChI
InChI=1S/C5H4N4O3.Na/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h(H4,6,7,8,9,10,11,12);/q;+1/p-1
InChIKey
NAFSTSRULRIERK-UHFFFAOYSA-M
Synonyms
Uric acid, sodium salt
U-6350
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
3
Molar refractivity
36.78
TPSA
117.46
LogP / Solubility
WLOGP
-4.98
MLOGP
-4.39
XLogP3
-4.98
Consensus LogP
-4.78
Log S (ESOL)
1.61
Class (ESOL)
Highly soluble
Log S (Ali)
2.48
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.24
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)
-7.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
