![CAS 1268390-67-5 4-ChloroMethyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268390-67-5.gif)
CAS RN: 1268390-67-5
4-ChloroMethyl-1H-pyrrolo[2,3-b]pyridine
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.20260329 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1268390-67-5
- Purity/Analytical Methods: >99.0%
1268390-67-5 / 4-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
1268390-67-5
Multi CAS
No
Molecular Formula
C8H7ClN2
Molecular Weight
166.610000
Exact Mass
166.029776
SMILES
C1=CNC2=NC=CC(=C21)CCl
InChI
InChI=1S/C8H7ClN2/c9-5-6-1-3-10-8-7(6)2-4-11-8/h1-4H,5H2,(H,10,11)
InChIKey
TYFNNVHCLAPKKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.65
TPSA
28.68
LogP / Solubility
WLOGP
2.3
MLOGP
2.02
XLogP3
1.7
Consensus LogP
2.01
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-2.1
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 1268449-00-8 1H-lMidazoliuM,2-[[(4S,5S)-1,3-diMiethyl-4,5-diphenyl-2-iMidazolinydene]aMino]-4,5-dihydro-1,3-diMethyl-4,5-diphenyl-,choride(1:1),(4S,5S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268449-00-8.gif)
