[email protected]
CAS 91544-03-5 1-ISOQUINOLIN-3-YL-ETHANONE molecular structure lightbox
CAS RN: 91544-03-5

1-ISOQUINOLIN-3-YL-ETHANONE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250501 1g In stock Inquiry
Batchno.20250114 250mg In stock Inquiry
Batchno.20250203 50mg In stock Inquiry
  • Product code: SSC-204792
GET A QUOTE
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: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 91544-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

91544-03-5 / 1-isoquinolin-3-ylethanone

Standard CAS: 91544-03-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91544-03-5
Multi CAS
Yes
Molecular Formula
C11H9NO
Molecular Weight
171.190000
Exact Mass
171.068414
InChI
InChI=1S/C11H9NO/c1-8(13)11-6-9-4-2-3-5-10(9)7-12-11/h2-7H,1H3
InChIKey
NLMXNLJJYMMQIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.75
TPSA
29.96

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
2.1
Consensus LogP
2.23
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us