CAS RN: 24381-49-5
choline 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260524 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24381-49-5
- Purity/Analytical Methods: >99.0%
24381-49-5 / 2,4-dioxo-1H-pyrimidine-6-carboxylate;2-hydroxyethyl(trimethyl)azanium
Basic Information
CAS
24381-49-5
Multi CAS
No
Molecular Formula
C10H17N3O5
Molecular Weight
259.260000
Exact Mass
259.116821
SMILES
C[N+](C)(C)CCO.C1=C(NC(=O)NC1=O)C(=O)[O-]
InChI
InChI=1S/C5H4N2O4.C5H14NO/c8-3-1-2(4(9)10)6-5(11)7-3;1-6(2,3)4-5-7/h1H,(H,9,10)(H2,6,7,8,11);7H,4-5H2,1-3H3/q;+1/p-1
InChIKey
IMAGLCGCHKGGLR-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
62
TPSA
126.08
LogP / Solubility
WLOGP
-2.89
MLOGP
-2.53
XLogP3
-2.89
Consensus LogP
-2.77
Log S (ESOL)
0.32
Class (ESOL)
Highly soluble
Log S (Ali)
0.4
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.69
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)
-6.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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