![CAS 1173023-36-3 3-([4-(4-CHLOROPHENYL)PIPERAZIN-1-YL]METHYL)-1H-PYRROLO(2,3-B)PYRIDINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3387546.gif)
CAS RN: 1173023-36-3
3-([4-(4-CHLOROPHENYL)PIPERAZIN-1-YL]METHYL)-1H-PYRROLO(2,3-B)PYRIDINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251105 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1173023-36-3
- Purity/Analytical Methods: >99.0%
1173023-36-3 / 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;hydrochloride
L-745870 hydrochloride | X2UD7T27FU | UNII-X2UD7T27FU
Basic Information
CAS
1173023-36-3
Multi CAS
No
Molecular Formula
C18H20Cl2N4
Molecular Weight
363.300000
Exact Mass
362.106502
SMILES
C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl.Cl
InChI
InChI=1S/C18H19ClN4.ClH/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18;/h1-7,12H,8-11,13H2,(H,20,21);1H
InChIKey
GFFJYISJZJIKAF-UHFFFAOYSA-N
Synonyms
L-745870 hydrochloride
X2UD7T27FU
UNII-X2UD7T27FU
DTXSID101016928
1H-Pyrrolo(2,3-b)pyridine, 3-((4-(4-chlorophenyl)-1-piperazinyl)methyl)-, hydrochloride (1:1)
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
102.28
TPSA
35.16
LogP / Solubility
WLOGP
3.96
MLOGP
3.5
XLogP3
3.96
Consensus LogP
3.81
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1173050-17-3 (2S,6S)-2,6-di-tert-butyl-1,2,3,5,6,7-hexahydroiMidazo[1,2-a]iMidazol-4-iuM iodide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1173050-17-3.gif)