![CAS 454685-88-2 1H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/454685-88-2.gif)
CAS RN: 454685-88-2
1H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile (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.20250905 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-153193
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
- Available purity: ≥95%
- Inventory rows with stock: 4
- 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.
454685-88-2 / 7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Basic Information
CAS
454685-88-2
Multi CAS
No
Molecular Formula
C7H4N4
Molecular Weight
144.130000
Exact Mass
144.043596
InChI
InChI=1S/C7H4N4/c8-1-5-2-10-7-6(5)3-9-4-11-7/h2-4H,(H,9,10,11)
InChIKey
GDYUNCUMRKXRHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.6
TPSA
65.36
LogP / Solubility
WLOGP
0.83
MLOGP
0.72
XLogP3
0.4
Consensus LogP
0.65
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
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)
-3.01
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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