![CAS 90929-74-1 1H-Pyrrolo[2,3-b]pyridine, 3-(2-chloroethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90929-74-1.gif)
CAS RN: 90929-74-1
1H-Pyrrolo[2,3-b]pyridine, 3-(2-chloroethyl)-
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.20260630 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90929-74-1
- Purity/Analytical Methods: >99.0%
90929-74-1 / 3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
90929-74-1
Multi CAS
No
Molecular Formula
C9H9CLN2
Molecular Weight
180.630000
Exact Mass
180.045426
InChI
InChI=1S/C9H9ClN2/c10-4-3-7-6-12-9-8(7)2-1-5-11-9/h1-2,5-6H,3-4H2,(H,11,12)
InChIKey
AJQNUEYAFPCZIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.52
TPSA
28.68
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
2.2
Consensus LogP
2.2
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 90931-30-9 2-CHLORO-N-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5199206.gif)
