[email protected]
CAS 381218-96-8 Boronic acid,(4-[2,2′:6′,2”-terpyridin]-4′-ylphen molecular structure lightbox
CAS RN: 381218-96-8

Boronic acid,(4-[2,2′:6′,2”-terpyridin]-4′-ylphen

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250407 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei 5-7 business days Inquiry
  • Product code: starshine_CAS381218-96-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

381218-96-8 / [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]boronic acid

Standard CAS: 381218-96-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
381218-96-8
Multi CAS
No
Molecular Formula
BC21H16N3O2
Molecular Weight
353.200000
Exact Mass
353.133557
InChI
InChI=1S/C21H16BN3O2/c26-22(27)17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14,26-27H
InChIKey
PZDWKAXANGABFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
105.96
TPSA
79.13

LogP / Solubility

WLOGP
2.55
MLOGP
2.26
XLogP3
2.55
Consensus LogP
2.45
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us