CAS RN: 183158-32-9
Boronic acid, (6-hydroxy-1-naphthalenyl)- (9CI)
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.20250922 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS183158-32-9
- Purity/Analytical Methods: >99.0%
183158-32-9 / (6-hydroxynaphthalen-1-yl)boronic acid
Basic Information
CAS
183158-32-9
Multi CAS
No
Molecular Formula
C10H9BO3
Molecular Weight
187.990000
Exact Mass
188.064474
SMILES
B(C1=C2C=CC(=CC2=CC=C1)O)(O)O
InChI
InChI=1S/C10H9BO3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12-14H
InChIKey
OBNCFKAITIDEMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
55.44
TPSA
60.69
LogP / Solubility
WLOGP
0.23
MLOGP
0.2
XLogP3
0.23
Consensus LogP
0.22
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.71
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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