[email protected]
CAS 1440939-88-7 N-[(9S)-8α-Cinchonan-9-yl]quinoline-8-sulfonamide molecular structure lightbox
CAS RN: 1440939-88-7

N-[(9S)-8α-Cinchonan-9-yl]quinoline-8-sulfonamide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: ICTC2728
  • Purity/Analytical Methods: >98.0%(HPLC)
GET A QUOTE

1440939-88-7 / N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl]quinoline-8-sulfonamide

Standard CAS: 1440939-88-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1440939-88-7
Multi CAS
No
Molecular Formula
C28H28N4O2S
Molecular Weight
484.600000
Exact Mass
484.193297
SMILES
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6
InChI
InChI=1S/C28H28N4O2S/c1-2-19-18-32-16-13-21(19)17-25(32)28(23-12-15-29-24-10-4-3-9-22(23)24)31-35(33,34)26-11-5-7-20-8-6-14-30-27(20)26/h2-12,14-15,19,21,25,28,31H,1,13,16-18H2
InChIKey
RNPQJTUCXSVJMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
20
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
138.32
TPSA
75.19

LogP / Solubility

WLOGP
4.7
MLOGP
4.17
XLogP3
4.3
Consensus LogP
4.39
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.43
Class (SILICOS-IT)
Insoluble

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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

Customers Also Viewed

Get In Touch

Contact Us