CAS RN: 250641-14-6
6-BroMoquinoline-2,4-dicarboxylic 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.20260205 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS250641-14-6
- Purity/Analytical Methods: >99.0%
250641-14-6 / 6-bromoquinoline-2,4-dicarboxylic acid
Basic Information
CAS
250641-14-6
Multi CAS
No
Molecular Formula
C11H6BrNO4
Molecular Weight
296.070000
Exact Mass
294.948020
SMILES
C1=CC2=C(C=C1Br)C(=CC(=N2)C(=O)O)C(=O)O
InChI
InChI=1S/C11H6BrNO4/c12-5-1-2-8-6(3-5)7(10(14)15)4-9(13-8)11(16)17/h1-4H,(H,14,15)(H,16,17)
InChIKey
DEAWSKJTMZXPBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.36
TPSA
87.49
LogP / Solubility
WLOGP
2.39
MLOGP
2.12
XLogP3
2.3
Consensus LogP
2.27
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
6-(benzyloxy)quinoline-2,4-dicarboxylic acid
- CAS RN: 250641-16-8
- Product Code: starshine_CAS250641-16-8
- Purity/Analytical method: >99.0%
-
8-fluoroquinoline-2,4-dicarboxylic acid
- CAS RN: 250641-22-6
- Product Code: starshine_CAS250641-22-6
- Purity/Analytical method: >99.0%
-
-
Carbamic acid, (1alpha,3alpha,5alpha)-6-oxabicyclo[3.1.0]hex-3-yl-, 1,1-dimethylethyl ester
- CAS RN: 250659-32-6
- Product Code: SSC-120574
-
2,7-Naphthyridine-3-carbo…
- CAS RN: 250674-48-7
- Product Code: starshine_CAS250674-48-7
- Purity/Analytical method: >99.0%
-
![CAS 250659-32-6 Carbamic acid, (1alpha,3alpha,5alpha)-6-oxabicyclo[3.1.0]hex-3-yl-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/250659-32-6.gif)
