![CAS 1346447-19-5 4,6-Dichloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62688187(1).gif)
CAS RN: 1346447-19-5
4,6-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.20250128 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1346447-19-5
- Purity/Analytical Methods: >99.0%
1346447-19-5 / 7-(benzenesulfonyl)-4,6-dichloropyrrolo[2,3-d]pyrimidine
Basic Information
CAS
1346447-19-5
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=CN=C3Cl)Cl
InChI
InChI=1S/C12H7Cl2N3O2S/c13-10-6-9-11(14)15-7-16-12(9)17(10)20(18,19)8-4-2-1-3-5-8/h1-7H
InChIKey
BJPGOHDUNIUCSD-UHFFFAOYSA-N
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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