![CAS 2703752-87-6 3-Bromo-1,4-dihydro-5H-pyrazolo[4,3-d]pyrimidine-5,7(6H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2703752-87-6.gif)
CAS RN: 2703752-87-6
3-Bromo-1,4-dihydro-5H-pyrazolo[4,3-d]pyrimidine-5,7(6H)-dione
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.20250826 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2703752-87-6
- Purity/Analytical Methods: >99.0%
2703752-87-6 / 3-bromo-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione
Basic Information
CAS
2703752-87-6
Multi CAS
No
Molecular Formula
C5H3BrN4O2
Molecular Weight
231.010000
Exact Mass
229.943940
SMILES
C12=C(NN=C1C(=O)NC(=O)N2)Br
InChI
InChI=1S/C5H3BrN4O2/c6-3-1-2(9-10-3)4(11)8-5(12)7-1/h(H,9,10)(H2,7,8,11,12)
InChIKey
MMGBRWARSWHMNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
3
Molar refractivity
45.04
TPSA
94.4
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.26
XLogP3
0.1
Consensus LogP
-0.15
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-4.34
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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