[email protected]
CAS 1403746-66-6 6-carbamoylquinoline-3-carboxylic acid molecular structure lightbox
CAS RN: 1403746-66-6

6-carbamoylquinoline-3-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260325 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1403746-66-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1403746-66-6 / 6-carbamoylquinoline-3-carboxylic acid

Standard CAS: 1403746-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1403746-66-6
Multi CAS
No
Molecular Formula
C11H8N2O3
Molecular Weight
216.190000
Exact Mass
216.053492
SMILES
C1=CC2=NC=C(C=C2C=C1C(=O)N)C(=O)O
InChI
InChI=1S/C11H8N2O3/c12-10(14)6-1-2-9-7(3-6)4-8(5-13-9)11(15)16/h1-5H,(H2,12,14)(H,15,16)
InChIKey
CLZDNVPHNCYLNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.22
TPSA
93.28

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
0.6
Consensus LogP
0.85
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

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