CAS RN: 628692-16-0
(2-METHYLQUINOLIN-5-YL)BORONIC 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.20250926 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS628692-16-0
- Purity/Analytical Methods: >99.0%
628692-16-0 / (2-methylquinolin-5-yl)boronic acid
Basic Information
CAS
628692-16-0
Multi CAS
Yes
Molecular Formula
BC10H10NO2
Molecular Weight
187.000000
Exact Mass
187.080459
InChI
InChI=1S/C10H10BNO2/c1-7-5-6-8-9(11(13)14)3-2-4-10(8)12-7/h2-6,13-14H,1H3
InChIKey
AYBXNRMOAXIQMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.31
TPSA
53.35
LogP / Solubility
WLOGP
0.22
MLOGP
0.19
XLogP3
0.22
Consensus LogP
0.21
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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