CAS RN: 220844-75-7
Ethyl 8-broMoquinoline-4-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.20260520 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS220844-75-7
- Purity/Analytical Methods: >99.0%
220844-75-7 / ethyl 8-bromoquinoline-4-carboxylate
Basic Information
CAS
220844-75-7
Multi CAS
No
Molecular Formula
C12H10BrNO2
Molecular Weight
280.120000
Exact Mass
278.989490
SMILES
CCOC(=O)C1=C2C=CC=C(C2=NC=C1)Br
InChI
InChI=1S/C12H10BrNO2/c1-2-16-12(15)9-6-7-14-11-8(9)4-3-5-10(11)13/h3-7H,2H2,1H3
InChIKey
QAZUDLFASXSZFY-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
3
Molar refractivity
65.4
TPSA
39.19
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
3.1
Consensus LogP
3.02
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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