CAS RN: 13055-06-6
Uramil-N,N-diacetic Acid Monohydrate
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-037180
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
13055-06-6 / 2-[carboxymethyl-(2,4,6-trioxo-1,3-diazinan-5-yl)amino]acetic acid
Basic Information
CAS
13055-06-6
Multi CAS
No
Molecular Formula
C8H9N3O7
Molecular Weight
259.170000
Exact Mass
259.044050
SMILES
C(C(=O)O)N(CC(=O)O)C1C(=O)NC(=O)NC1=O
InChI
InChI=1S/C8H9N3O7/c12-3(13)1-11(2-4(14)15)5-6(16)9-8(18)10-7(5)17/h5H,1-2H2,(H,12,13)(H,14,15)(H2,9,10,16,17,18)
InChIKey
QDHGQJQZPJPKJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
4
Molar refractivity
52.31
TPSA
153.11
LogP / Solubility
WLOGP
-2.81
MLOGP
-2.46
XLogP3
-4.1
Consensus LogP
-3.12
Log S (ESOL)
0.65
Class (ESOL)
Highly soluble
Log S (Ali)
0.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.39
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)
-6.29
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
