CAS RN: 1379615-56-1
Ethyl 2-broMo-4-chloroquinoline-3-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1379615-56-1
- Purity/Analytical Methods: >99.0%
1379615-56-1 / ethyl 2-bromo-4-chloroquinoline-3-carboxylate
Basic Information
CAS
1379615-56-1
Multi CAS
No
Molecular Formula
C12H9BrClNO2
Molecular Weight
314.560000
Exact Mass
312.950520
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N=C1Br)Cl
InChI
InChI=1S/C12H9BrClNO2/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)15-11(9)13/h3-6H,2H2,1H3
InChIKey
XSVGCAMLFRACNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.41
TPSA
39.19
LogP / Solubility
WLOGP
3.83
MLOGP
3.38
XLogP3
4.1
Consensus LogP
3.77
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
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
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