[email protected]
CAS 90717-03-6 QUINMERAC molecular structure lightbox
CAS RN: 90717-03-6

QUINMERAC

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260520 100mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS90717-03-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

90717-03-6 / 7-chloro-3-methylquinoline-8-carboxylic acid

Standard CAS: 90717-03-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90717-03-6
Multi CAS
No
Molecular Formula
C11H8CLNO2
Molecular Weight
221.640000
Exact Mass
221.024356
InChI
InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)
InChIKey
ALZOLUNSQWINIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.45
TPSA
50.19

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.7
Consensus LogP
2.71
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-2.02

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us