![CAS 717900-59-9 5-Bromo-4-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/717900-59-9.gif)
CAS RN: 717900-59-9
5-Bromo-4-chloro-7-cyclopentyl-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.20260402 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS717900-59-9
- Purity/Analytical Methods: >99.0%
717900-59-9 / 5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine
Basic Information
CAS
717900-59-9
Multi CAS
No
Molecular Formula
C11H11BRCLN3
Molecular Weight
300.580000
Exact Mass
298.982490
InChI
InChI=1S/C11H11BrClN3/c12-8-5-16(7-3-1-2-4-7)11-9(8)10(13)14-6-15-11/h5-7H,1-4H2
InChIKey
QLNKKZJTGNTSNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
67.74
TPSA
30.71
LogP / Solubility
WLOGP
3.96
MLOGP
3.5
XLogP3
3.4
Consensus LogP
3.62
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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