![CAS 1638771-56-8 7-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638771-56-8.gif)
CAS RN: 1638771-56-8
7-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
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.20251216 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-071463
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 | Shenzhen | Inquiry |
1638771-56-8 / 7-methylpyrrolo[2,3-d]pyrimidine-4-carbonitrile
Basic Information
CAS
1638771-56-8
Multi CAS
No
Molecular Formula
C8H6N4
Molecular Weight
158.160000
Exact Mass
158.059246
SMILES
CN1C=CC2=C(N=CN=C21)C#N
InChI
InChI=1S/C8H6N4/c1-12-3-2-6-7(4-9)10-5-11-8(6)12/h2-3,5H,1H3
InChIKey
LWSJWBGIMGQQSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
4
Molar refractivity
43.22
TPSA
54.5
LogP / Solubility
WLOGP
0.84
MLOGP
0.73
XLogP3
0.7
Consensus LogP
0.76
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-3.09
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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