CAS RN: 154-85-8
6-CARBOXY-2,4-DIHYDROXYPYRIMIDINE MONOSODIUM SALT
- Product code: SSC-063371
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 |
154-85-8 / sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate
Basic Information
CAS
154-85-8
Multi CAS
No
Molecular Formula
C5H3N2NaO4
Molecular Weight
178.080000
Exact Mass
177.999051
SMILES
C1=C(NC(=O)NC1=O)C(=O)[O-].[Na+]
InChI
InChI=1S/C5H4N2O4.Na/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
InChIKey
ZTHMWDSJKLNDTE-UHFFFAOYSA-M
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
32.01
TPSA
105.85
LogP / Solubility
WLOGP
-5.57
MLOGP
-4.9
XLogP3
-5.57
Consensus LogP
-5.35
Log S (ESOL)
2.26
Class (ESOL)
Highly soluble
Log S (Ali)
3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.69
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)
-7.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
