CAS RN: 878158-18-0
5,6-DIHYDROXY-2-METHYL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
- Product code: SSC-198129
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
878158-18-0 / methyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
Basic Information
CAS
878158-18-0
Multi CAS
No
Molecular Formula
C7H8N2O4
Molecular Weight
184.150000
Exact Mass
184.048407
InChI
InChI=1S/C7H8N2O4/c1-3-8-4(7(12)13-2)5(10)6(11)9-3/h10H,1-2H3,(H,8,9,11)
InChIKey
ZQAHIISJGSVKRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
42.6
TPSA
92.28
LogP / Solubility
WLOGP
-0.43
MLOGP
-0.38
XLogP3
-0.3
Consensus LogP
-0.37
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
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)
-4.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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