CAS RN: 1260151-69-6
2-Hydroxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250501 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1260151-69-6
- Purity/Analytical Methods: >99.0%
1260151-69-6 / 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol
Basic Information
CAS
1260151-69-6
Multi CAS
No
Molecular Formula
C16H19BO3
Molecular Weight
270.100000
Exact Mass
270.142725
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=C(C=CC3=CC=C2)O
InChI
InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)14-7-5-6-11-8-9-12(18)10-13(11)14/h5-10,18H,1-4H3
InChIKey
XZXWMCBTVUZVPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.33
TPSA
38.69
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.35
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
1.5
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