![CAS 848316-19-8 ethyl 6-methyl-4-oxo-1,4-dihydrofuro[2,3-d]pyrimidine-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/848316-19-8.gif)
CAS RN: 848316-19-8
ethyl 6-methyl-4-oxo-1,4-dihydrofuro[2,3-d]pyrimidine-5-carboxylate
- Product code: SSC-192488
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
848316-19-8 / ethyl 6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate
Basic Information
CAS
848316-19-8
Multi CAS
No
Molecular Formula
C10H10N2O4
Molecular Weight
222.200000
Exact Mass
222.064057
InChI
InChI=1S/C10H10N2O4/c1-3-15-10(14)6-5(2)16-9-7(6)8(13)11-4-12-9/h4H,3H2,1-2H3,(H,11,12,13)
InChIKey
AHMZKPGQSMMFKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.32
TPSA
85.19
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
0.7
Consensus LogP
0.86
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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