![CAS 186519-89-1 4-CHLORO-7-(PHENYLSULFONYL)-7H-PYRROLO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/186519-89-1.gif)
CAS RN: 186519-89-1
4-CHLORO-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.20250503 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-086650
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
186519-89-1 / 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine
Basic Information
CAS
186519-89-1
Multi CAS
No
Molecular Formula
C12H8ClN3O2S
Molecular Weight
293.730000
Exact Mass
293.002575
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=CN=C3Cl
InChI
InChI=1S/C12H8ClN3O2S/c13-11-10-6-7-16(12(10)15-8-14-11)19(17,18)9-4-2-1-3-5-9/h1-8H
InChIKey
HPWMGRLPNPQCQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
71.56
TPSA
64.85
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
2.8
Consensus LogP
2.39
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
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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