CAS RN: 1630264-42-4
Boronic acid, B-(6-methoxy-1-naphthalenyl)-
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.20250110 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1630264-42-4
- Purity/Analytical Methods: >99.0%
1630264-42-4 / (6-methoxynaphthalen-1-yl)boronic acid
Basic Information
CAS
1630264-42-4
Multi CAS
No
Molecular Formula
C11H11BO3
Molecular Weight
202.020000
Exact Mass
202.080124
SMILES
B(C1=C2C=CC(=CC2=CC=C1)OC)(O)O
InChI
InChI=1S/C11H11BO3/c1-15-9-5-6-10-8(7-9)3-2-4-11(10)12(13)14/h2-7,13-14H,1H3
InChIKey
CBIYQHHNRCPDIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.33
TPSA
49.69
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
0.53
Consensus LogP
0.51
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.58
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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