![CAS 872319-72-7 3,6-DIMETHYL-4-OXO-3,4-DIHYDROFURO[2,3-D]PYRIMIDINE-5-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8309642.gif)
CAS RN: 872319-72-7
3,6-DIMETHYL-4-OXO-3,4-DIHYDROFURO[2,3-D]PYRIMIDINE-5-CARBOXYLIC ACID
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.20250917 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS872319-72-7
- Purity/Analytical Methods: >99.0%
872319-72-7 / 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
Basic Information
CAS
872319-72-7
Multi CAS
No
Molecular Formula
C9H8N2O4
Molecular Weight
208.170000
Exact Mass
208.048407
InChI
InChI=1S/C9H8N2O4/c1-4-5(9(13)14)6-7(15-4)10-3-11(2)8(6)12/h3H,1-2H3,(H,13,14)
InChIKey
SIWTYGNZDXWHIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.95
TPSA
85.33
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
0.2
Consensus LogP
0.4
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
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)
-3.61
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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