CAS RN: 887260-96-0
BORONIC ACID,2,6-NAPHTHALENEDIYLBIS-
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: LINB887279
887260-96-0 / (6-borononaphthalen-2-yl)boronic acid
Basic Information
CAS
887260-96-0
Multi CAS
No
Molecular Formula
B2C10H10O4
Molecular Weight
215.800000
Exact Mass
216.076519
InChI
InChI=1S/C10H10B2O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6,13-16H
InChIKey
LUKFOICJEVFQSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
63.6
TPSA
80.92
LogP / Solubility
WLOGP
-1.8
MLOGP
-1.58
XLogP3
-1.8
Consensus LogP
-1.73
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.03
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.19
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.31
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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