![CAS 1279872-89-7 7-(benzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1279872-89-7.gif)
CAS RN: 1279872-89-7
7-(benzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
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.20260321 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-035359
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1279872-89-7 / 7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
1279872-89-7
Multi CAS
No
Molecular Formula
C12H9N3O2S
Molecular Weight
259.290000
Exact Mass
259.041548
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CN=CN=C32
InChI
InChI=1S/C12H9N3O2S/c16-18(17,11-4-2-1-3-5-11)15-7-6-10-8-13-9-14-12(10)15/h1-9H
InChIKey
KRDVTTFTHMIQDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
66.55
TPSA
64.85
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
1.8
Consensus LogP
1.65
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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