![CAS 53493-80-4 5H-Pyrrolo[3,4-d]pyrimidine, 6,7-dihydro- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53493-80-4.gif)
CAS RN: 53493-80-4
5H-Pyrrolo[3,4-d]pyrimidine, 6,7-dihydro- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260615 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-160851
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 3 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 3 In Stock | Beijing | Inquiry |
| 5g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 3 In Stock | Beijing | Inquiry |
53493-80-4 / 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
Basic Information
CAS
53493-80-4
Multi CAS
Yes
Molecular Formula
C6H7N3
Molecular Weight
121.140000
Exact Mass
121.063997
InChI
InChI=1S/C6H7N3/c1-5-2-8-4-9-6(5)3-7-1/h2,4,7H,1,3H2
InChIKey
NBXIOQTYZWAAEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.58
TPSA
37.81
LogP / Solubility
WLOGP
0.08
MLOGP
0.06
XLogP3
-0.8
Consensus LogP
-0.22
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.4
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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