![CAS 848398-40-3 1H,2H,3H,4H,5H,7H-FURO[3,4-D]PYRIMIDINE-2,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32598908.gif)
CAS RN: 848398-40-3
1H,2H,3H,4H,5H,7H-FURO[3,4-D]PYRIMIDINE-2,4-DIONE
- Product code: SSC-192515
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 |
848398-40-3 / 5,7-dihydro-1H-furo[3,4-d]pyrimidine-2,4-dione
Basic Information
CAS
848398-40-3
Multi CAS
Yes
Molecular Formula
C6H6N2O3
Molecular Weight
154.120000
Exact Mass
154.037842
InChI
InChI=1S/C6H6N2O3/c9-5-3-1-11-2-4(3)7-6(10)8-5/h1-2H2,(H2,7,8,9,10)
InChIKey
BAYSNOAIUDTTSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.18
TPSA
74.95
LogP / Solubility
WLOGP
-0.91
MLOGP
-0.8
XLogP3
-1.7
Consensus LogP
-1.14
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.3
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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