![CAS 1289190-97-1 7-(benzenesulfonyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1289190-97-1.gif)
CAS RN: 1289190-97-1
7-(benzenesulfonyl)-5-bromo-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.20250707 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-036114
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 |
1289190-97-1 / 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine
Basic Information
CAS
1289190-97-1
Multi CAS
No
Molecular Formula
C12H8BrN3O2S
Molecular Weight
338.180000
Exact Mass
336.952060
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CN=CN=C32)Br
InChI
InChI=1S/C12H8BrN3O2S/c13-11-7-16(12-10(11)6-14-8-15-12)19(17,18)9-4-2-1-3-5-9/h1-8H
InChIKey
DUHOLBFHYZQWEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
74.25
TPSA
64.85
LogP / Solubility
WLOGP
2.43
MLOGP
2.16
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
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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