![CAS 1131992-22-7 2,4-Dichloro-7-(phenylsulfonyl)-7H-Pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1131992-22-7.gif)
CAS RN: 1131992-22-7
2,4-Dichloro-7-(phenylsulfonyl)-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.20250327 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-013371
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, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 1 In Stock | Shanghai | Inquiry |
| 10g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 1 In Stock | Shanghai | Inquiry |
1131992-22-7 / 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine
2,4-Dichloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine | 7-(Benzenesulfonyl)-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine | MFCD21604276
Basic Information
CAS
1131992-22-7
Multi CAS
No
Molecular Formula
C12H7Cl2N3O2S
Molecular Weight
328.200000
Exact Mass
326.963603
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=C(N=C3Cl)Cl
InChI
InChI=1S/C12H7Cl2N3O2S/c13-10-9-6-7-17(11(9)16-12(14)15-10)20(18,19)8-4-2-1-3-5-8/h1-7H
InChIKey
ZGWRYMWYEXGDNI-UHFFFAOYSA-N
Synonyms
2,4-Dichloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
7-(Benzenesulfonyl)-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
MFCD21604276
7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine
SCHEMBL3653359
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
76.57
TPSA
64.85
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
3.8
Consensus LogP
3.14
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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