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CAS 14435-88-2 2,6-BIS(P-TOLYL)PYRIDINE molecular structure lightbox
CAS RN: 14435-88-2

2,6-BIS(P-TOLYL)PYRIDINE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260329 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS14435-88-2
  • Purity/Analytical Methods: >99.0%
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14435-88-2 / 2,6-bis(4-methylphenyl)pyridine

Standard CAS: 14435-88-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14435-88-2
Multi CAS
No
Molecular Formula
C19H17N
Molecular Weight
259.300000
Exact Mass
259.136100
SMILES
CC1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H17N/c1-14-6-10-16(11-7-14)18-4-3-5-19(20-18)17-12-8-15(2)9-13-17/h3-13H,1-2H3
InChIKey
BLRYHCTZTSRBNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
84.58
TPSA
12.89

LogP / Solubility

WLOGP
5.03
MLOGP
4.44
XLogP3
5.5
Consensus LogP
4.99
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.73

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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