[email protected]
CAS 286380-59-4 BIPY531, 2,2′-([2,2′-Bipyridine]-5,5′-diyl)diacetonitrile molecular structure lightbox
CAS RN: 286380-59-4

BIPY531, 2,2′-([2,2′-Bipyridine]-5,5′-diyl)diacetonitrile

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250428 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS286380-59-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

286380-59-4 / 2-[6-[5-(cyanomethyl)-2-pyridinyl]-3-pyridinyl]acetonitrile

Standard CAS: 286380-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
286380-59-4
Multi CAS
No
Molecular Formula
C14H10N4
Molecular Weight
234.260000
Exact Mass
234.090546
SMILES
C1=CC(=NC=C1CC#N)C2=NC=C(C=C2)CC#N
InChI
InChI=1S/C14H10N4/c15-7-5-11-1-3-13(17-9-11)14-4-2-12(6-8-16)10-18-14/h1-4,9-10H,5-6H2
InChIKey
FLDVCQDDAPUWLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
66.1
TPSA
73.36

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
0.8
Consensus LogP
1.7
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us