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CAS 1841079-88-6 5-Amino-3-(pyrrolo[2,3-c]pyridin-1-yl)isoquinoline molecular structure lightbox
CAS RN: 1841079-88-6

5-Amino-3-(pyrrolo[2,3-c]pyridin-1-yl)isoquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-085151
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1841079-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1841079-88-6 / 3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine

Standard CAS: 1841079-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1841079-88-6
Multi CAS
No
Molecular Formula
C16H12N4
Molecular Weight
260.290000
Exact Mass
260.106196
SMILES
C1=CC2=CN=C(C=C2C(=C1)N)N3C=CC4=C3C=NC=C4
InChI
InChI=1S/C16H12N4/c17-14-3-1-2-12-9-19-16(8-13(12)14)20-7-5-11-4-6-18-10-15(11)20/h1-10H,17H2
InChIKey
PMOKTGDEWNHLBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.78
TPSA
56.73

LogP / Solubility

WLOGP
3.16
MLOGP
2.78
XLogP3
2.4
Consensus LogP
2.78
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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