[email protected]
CAS 190138-00-2 ethyl 8-aMinoquinoline-3-carboxylate molecular structure lightbox
CAS RN: 190138-00-2

ethyl 8-aMinoquinoline-3-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250917 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS190138-00-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

190138-00-2 / ethyl 8-aminoquinoline-3-carboxylate

Standard CAS: 190138-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190138-00-2
Multi CAS
No
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
SMILES
CCOC(=O)C1=CN=C2C(=C1)C=CC=C2N
InChI
InChI=1S/C12H12N2O2/c1-2-16-12(15)9-6-8-4-3-5-10(13)11(8)14-7-9/h3-7H,2,13H2,1H3
InChIKey
FLYPPJMEMJHTTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.11
TPSA
65.21

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.7
Consensus LogP
1.82
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

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
1.5

Customers Also Viewed

Get In Touch

Contact Us