CAS RN: 1597297-10-3
8-Bromo-4-methoxy-quinoline-2-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.20260311 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1597297-10-3
- Purity/Analytical Methods: >99.0%
1597297-10-3 / 8-bromo-4-methoxyquinoline-2-carboxylic acid
Basic Information
CAS
1597297-10-3
Multi CAS
No
Molecular Formula
C11H8BrNO3
Molecular Weight
282.090000
Exact Mass
280.968760
SMILES
COC1=CC(=NC2=C1C=CC=C2Br)C(=O)O
InChI
InChI=1S/C11H8BrNO3/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,1H3,(H,14,15)
InChIKey
YEHILQHIMXEIOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.95
TPSA
59.42
LogP / Solubility
WLOGP
2.7
MLOGP
2.39
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-2.52
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
-
JPH203 HCl
- CAS RN: 1597402-27-1
- Product Code: starshine_CAS1597402-27-1
- Purity/Analytical method: >99.0%
-
-
-
-
-
Cobimetinib intermediate7
- CAS RN: 1597407-59-4
- Product Code: starshine_CAS1597407-59-4
- Purity/Analytical method: >99.0%
