![CAS 928653-79-6 5-CHLORO-3-IODO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/928653-79-6.gif)
CAS RN: 928653-79-6
5-CHLORO-3-IODO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER
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.20250721 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS928653-79-6
- Purity/Analytical Methods: >99.0%
928653-79-6 / tert-butyl 5-chloro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate
Basic Information
CAS
928653-79-6
Multi CAS
Yes
Molecular Formula
C13H12LiN2O2
Molecular Weight
378.590000
Exact Mass
377.963200
InChI
InChI=1S/C12H12ClIN2O2/c1-12(2,3)18-11(17)16-6-9(14)8-4-7(13)5-15-10(8)16/h4-6H,1-3H3
InChIKey
FHBLBHBXDKLIJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
79.09
TPSA
44.12
LogP / Solubility
WLOGP
4.08
MLOGP
3.61
XLogP3
3.8
Consensus LogP
3.83
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
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
Yes
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 928653-80-9 5-BROMO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/928653-80-9.gif)
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