CAS RN: 4869-45-8
1,3-DiMethyl-2,4-dioxo-1,2,3,4-tetrahydropyriMidine-5-carboxylic Acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-155353
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, 5g, 10g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >95% | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 5 In Stock | Beijing | Inquiry |
| 25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 5 In Stock | Beijing | Inquiry |
4869-45-8 / 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylic acid
Basic Information
CAS
4869-45-8
Multi CAS
Yes
Molecular Formula
C7H8N2O4
Molecular Weight
184.150000
Exact Mass
184.048407
InChI
InChI=1S/C7H8N2O4/c1-8-3-4(6(11)12)5(10)9(2)7(8)13/h3H,1-2H3,(H,11,12)
InChIKey
OQOZKHDSUDJUDR-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
1
Molar refractivity
43.88
TPSA
81.3
LogP / Solubility
WLOGP
-1.22
MLOGP
-1.07
XLogP3
-0.3
Consensus LogP
-0.86
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.03
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)
-4.71
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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