CAS RN: 152915-83-8
6-(BENZYLOXY)-2-NAPHTHYLBORONIC 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.20260217 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS152915-83-8
- Purity/Analytical Methods: >99.0%
152915-83-8 / (6-phenylmethoxynaphthalen-2-yl)boronic acid
Basic Information
CAS
152915-83-8
Multi CAS
No
Molecular Formula
C17H15BO3
Molecular Weight
278.100000
Exact Mass
278.111425
SMILES
B(C1=CC2=C(C=C1)C=C(C=C2)OCC3=CC=CC=C3)(O)O
InChI
InChI=1S/C17H15BO3/c19-18(20)16-8-6-15-11-17(9-7-14(15)10-16)21-12-13-4-2-1-3-5-13/h1-11,19-20H,12H2
InChIKey
ZVHAZMUBLCEMGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.55
TPSA
49.69
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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