![CAS 5654-98-8 5H-Pyrrolo[2,3-d]pyrimidine, 6,7-dihydro- (8CI,9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5654-98-8.gif)
CAS RN: 5654-98-8
5H-Pyrrolo[2,3-d]pyrimidine, 6,7-dihydro- (8CI,9CI)
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.20260413 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-164544
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
5654-98-8 / 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
5654-98-8
Multi CAS
No
Molecular Formula
C6H7N3
Molecular Weight
121.140000
Exact Mass
121.063997
InChI
InChI=1S/C6H7N3/c1-2-8-6-5(1)3-7-4-9-6/h3-4H,1-2H2,(H,7,8,9)
InChIKey
PANGDCFLXUDHDI-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
34.23
TPSA
37.81
LogP / Solubility
WLOGP
0.44
MLOGP
0.38
XLogP3
0.6
Consensus LogP
0.47
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-3.14
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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