CAS RN: 1370040-78-0
(6-methylquinolin-3-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.20260326 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1370040-78-0
- Purity/Analytical Methods: >99.0%
1370040-78-0 / (6-methylquinolin-3-yl)boronic acid
Basic Information
CAS
1370040-78-0
Multi CAS
No
Molecular Formula
C10H10BNO2
Molecular Weight
187.000000
Exact Mass
187.080459
SMILES
B(C1=CC2=C(C=CC(=C2)C)N=C1)(O)O
InChI
InChI=1S/C10H10BNO2/c1-7-2-3-10-8(4-7)5-9(6-12-10)11(13)14/h2-6,13-14H,1H3
InChIKey
YDBDSKYPNQEAIU-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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