[email protected]
CAS 83-08-9 2-(2-quinolyl)-1H-indene-1,3(2H)-dione molecular structure lightbox
CAS RN: 83-08-9

2-(2-quinolyl)-1H-indene-1,3(2H)-dione

  • Product code: SSC-190967
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 83-08-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

83-08-9 / 2-quinolin-2-ylindene-1,3-dione

Standard CAS: 83-08-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
83-08-9
Multi CAS
No
Molecular Formula
C18H11NO2
Molecular Weight
273.300000
Exact Mass
273.078979
InChI
InChI=1S/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,16H
InChIKey
IZMJMCDDWKSTTK-UHFFFAOYSA-N

Physical Properties

Melting Point
320 °F (Sublimes) (NTP, 1992) 241 °C
Physical Description
D & c yellow 11 appears as bright greenish yellow solid or canary yellow powder. (NTP, 1992) Yellow powder or granules Bright greenish yellow or canary yellow solid; [CAMEO]
Appearance
Bright greenish yellow Yellow brown in concentrated H2SO4, yellow flocculent precipitate in dilution Yellow-gold powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
79.59
TPSA
47.03

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us