CAS RN: 1191061-58-1
2-Methoxyquinolin-6-ylboronic 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.20260302 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1191061-58-1
- Purity/Analytical Methods: >99.0%
1191061-58-1 / (2-methoxyquinolin-6-yl)boronic acid
2-Methoxyquinolin-6-ylboronic acid | (2-methoxyquinolin-6-yl)boronic acid | MFCD18384109
Basic Information
CAS
1191061-58-1
Multi CAS
No
Molecular Formula
C10H10BNO3
Molecular Weight
203.000000
Exact Mass
203.075373
SMILES
B(C1=CC2=C(C=C1)N=C(C=C2)OC)(O)O
InChI
InChI=1S/C10H10BNO3/c1-15-10-5-2-7-6-8(11(13)14)3-4-9(7)12-10/h2-6,13-14H,1H3
InChIKey
JAHPYOBVPRULLO-UHFFFAOYSA-N
Synonyms
2-Methoxyquinolin-6-ylboronic acid
(2-methoxyquinolin-6-yl)boronic acid
MFCD18384109
SCHEMBL12419233
2-Methoxyquinolin-6-ylboronicacid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.12
TPSA
62.58
LogP / Solubility
WLOGP
-0.08
MLOGP
-0.07
XLogP3
-0.08
Consensus LogP
-0.08
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01
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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