CAS RN: 16033-74-2
4,6-dichloro-N,N-diphenyl-1,3,5-triazin-2-amine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260624 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS16033-74-2
- Purity/Analytical Methods: >99.0%
16033-74-2 / 4,6-dichloro-N,N-diphenyl-1,3,5-triazin-2-amine
Basic Information
CAS
16033-74-2
Multi CAS
No
Molecular Formula
C15H10Cl2N4
Molecular Weight
317.200000
Exact Mass
316.028252
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC(=NC(=N3)Cl)Cl
InChI
InChI=1S/C15H10Cl2N4/c16-13-18-14(17)20-15(19-13)21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
UIKAQTBBQJSDQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
84.53
TPSA
41.91
LogP / Solubility
WLOGP
4.65
MLOGP
4.1
XLogP3
5.5
Consensus LogP
4.75
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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