![CAS 34771-39-6 6-phenyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/34771-39-6.gif)
CAS RN: 34771-39-6
6-phenyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diol
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.20250621 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS34771-39-6
- Purity/Analytical Methods: >99.0%
34771-39-6 / 6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
Basic Information
CAS
34771-39-6
Multi CAS
Yes
Molecular Formula
C12H9N3O2
Molecular Weight
227.220000
Exact Mass
227.069477
InChI
InChI=1S/C12H9N3O2/c16-11-10-9(14-12(17)15-11)6-8(13-10)7-4-2-1-3-5-7/h1-6,13H,(H2,14,15,16,17)
InChIKey
SHQYZHCVGVXICO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
64.98
TPSA
81.51
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
1.2
Consensus LogP
1.16
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-3.25
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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