CAS RN: 179024-70-5
6-BROMO-4-CHLORO-QUINOLINE-3-CARBOXYLIC ACID
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.20250803 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS179024-70-5
- Purity/Analytical Methods: >99.0%
179024-70-5 / 6-bromo-4-chloroquinoline-3-carboxylic acid
Basic Information
CAS
179024-70-5
Multi CAS
No
Molecular Formula
C10H5BrClNO2
Molecular Weight
286.510000
Exact Mass
284.919220
SMILES
C1=CC2=NC=C(C(=C2C=C1Br)Cl)C(=O)O
InChI
InChI=1S/C10H5BrClNO2/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15/h1-4H,(H,14,15)
InChIKey
YZYVWPBINSGVFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.41
TPSA
50.19
LogP / Solubility
WLOGP
3.35
MLOGP
2.96
XLogP3
3
Consensus LogP
3.1
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
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)
-2.09
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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