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CAS RN: 1421271-01-3
MK-4618 Pyrimidinone Acid Sodium 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.20250415 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1421271-01-3
- Purity/Analytical Methods: >99.0%
1421271-01-3 / sodium (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylate
Basic Information
CAS
1421271-01-3
Multi CAS
No
Molecular Formula
C8H7N2NaO3
Molecular Weight
202.140000
Exact Mass
202.035436
SMILES
C1CC2=NC=CC(=O)N2[C@@H]1C(=O)[O-].[Na+]
InChI
InChI=1S/C8H8N2O3.Na/c11-7-3-4-9-6-2-1-5(8(12)13)10(6)7;/h3-5H,1-2H2,(H,12,13);/q;+1/p-1/t5-;/m0./s1
InChIKey
LRRYFHNJQIJOSH-JEDNCBNOSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
40.86
TPSA
75.02
LogP / Solubility
WLOGP
-4.52
MLOGP
-3.97
XLogP3
-4.52
Consensus LogP
-4.34
Log S (ESOL)
1.5
Class (ESOL)
Highly soluble
Log S (Ali)
2.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.65
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)
-7.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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