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CAS 1956384-84-1 7-carbamoylquinoline-3-carboxylic acid molecular structure lightbox
CAS RN: 1956384-84-1

7-carbamoylquinoline-3-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1956384-84-1
  • Purity/Analytical Methods: >99.0%
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1956384-84-1 / 7-carbamoylquinoline-3-carboxylic acid

Standard CAS: 1956384-84-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956384-84-1
Multi CAS
No
Molecular Formula
C11H8N2O3
Molecular Weight
216.190000
Exact Mass
216.053492
SMILES
C1=CC(=CC2=NC=C(C=C21)C(=O)O)C(=O)N
InChI
InChI=1S/C11H8N2O3/c12-10(14)7-2-1-6-3-8(11(15)16)5-13-9(6)4-7/h1-5H,(H2,12,14)(H,15,16)
InChIKey
FFWFJFXJLZAEIX-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

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