CAS RN: 32543-38-7
3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid salt
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.20250830 | 1g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS32543-38-7
- Purity/Analytical Methods: >99.0%
32543-38-7 / 3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)oxy-4-(trimethylazaniumyl)butanoate
Basic Information
CAS
32543-38-7
Multi CAS
Yes
Molecular Formula
C12H17N3O6
Molecular Weight
299.280000
Exact Mass
299.111735
InChI
InChI=1S/C7H15NO3.C5H4N2O4/c1-8(2,3)5-6(9)4-7(10)11;8-3-1-2(4(9)10)6-5(11)7-3/h6,9H,4-5H2,1-3H3;1H,(H,9,10)(H2,6,7,8,11)
InChIKey
MBULCFMSBDQQQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
69.41
TPSA
132.15
LogP / Solubility
WLOGP
-2.57
MLOGP
-2.25
XLogP3
-0.6
Consensus LogP
-1.81
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
Class (SILICOS-IT)
Very 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)
-6.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
