![CAS 1841078-75-8 3-(1H-PYRROLO[2,3-C]PYRIDIN-1-Y L)ISOQUINOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1841078-75-8.gif)
CAS RN: 1841078-75-8
3-(1H-PYRROLO[2,3-C]PYRIDIN-1-Y L)ISOQUINOLINE
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.20251128 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1841078-75-8
- Purity/Analytical Methods: >99.0%
1841078-75-8 / 3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
Basic Information
CAS
1841078-75-8
Multi CAS
No
Molecular Formula
C16H11N3
Molecular Weight
245.280000
Exact Mass
245.095297
SMILES
C1=CC=C2C=NC(=CC2=C1)N3C=CC4=C3C=NC=C4
InChI
InChI=1S/C16H11N3/c1-2-4-14-10-18-16(9-13(14)3-1)19-8-6-12-5-7-17-11-15(12)19/h1-11H
InChIKey
VVVBIGRMWWMIMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
76.37
TPSA
30.71
LogP / Solubility
WLOGP
3.57
MLOGP
3.15
XLogP3
3.1
Consensus LogP
3.27
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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