![CAS 187724-99-8 ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/187724-99-8.gif)
CAS RN: 187724-99-8
ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
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.20250912 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS187724-99-8
- Purity/Analytical Methods: >99.0%
187724-99-8 / ethyl 4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxylate
Basic Information
CAS
187724-99-8
Multi CAS
No
Molecular Formula
C9H9N3O3
Molecular Weight
207.190000
Exact Mass
207.064391
SMILES
CCOC(=O)C1=CC2=C(N1)N=CNC2=O
InChI
InChI=1S/C9H9N3O3/c1-2-15-9(14)6-3-5-7(12-6)10-4-11-8(5)13/h3-4H,2H2,1H3,(H2,10,11,12,13)
InChIKey
RSJUPDUDZRGVRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.67
TPSA
87.84
LogP / Solubility
WLOGP
0.43
MLOGP
0.38
XLogP3
0.4
Consensus LogP
0.4
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.68
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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