CAS RN: 2229752-36-5
2-chloro-4-(4-(naphthalen-1-yl)phenyl)-6-phenyl-1,3,5-triazine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250403 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2229752-36-5
- Purity/Analytical Methods: >99.0%
2229752-36-5 / 2-chloro-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
Basic Information
CAS
2229752-36-5
Multi CAS
No
Molecular Formula
C25H16ClN3
Molecular Weight
393.900000
Exact Mass
393.103275
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=C(C=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C25H16ClN3/c26-25-28-23(19-8-2-1-3-9-19)27-24(29-25)20-15-13-18(14-16-20)22-12-6-10-17-7-4-5-11-21(17)22/h1-16H
InChIKey
RLWRDIAZTFTCRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
28
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
118.65
TPSA
38.67
LogP / Solubility
WLOGP
6.68
MLOGP
5.9
XLogP3
7.1
Consensus LogP
6.56
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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