[email protected]
CAS 18714-16-4 2-CYANO-4-PHENYLPYRIDINE molecular structure lightbox
CAS RN: 18714-16-4

2-CYANO-4-PHENYLPYRIDINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18714-16-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

18714-16-4 / 4-phenylpyridine-2-carbonitrile

Standard CAS: 18714-16-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18714-16-4
Multi CAS
No
Molecular Formula
C12H8N2
Molecular Weight
180.200000
Exact Mass
180.068748
SMILES
C1=CC=C(C=C1)C2=CC(=NC=C2)C#N
InChI
InChI=1S/C12H8N2/c13-9-12-8-11(6-7-14-12)10-4-2-1-3-5-10/h1-8H
InChIKey
TXLINXBIWJYFNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.39
TPSA
36.68

LogP / Solubility

WLOGP
2.62
MLOGP
2.3
XLogP3
2.5
Consensus LogP
2.47
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us