CAS RN: 84688-74-4
6-Chloro-N,N’-bis(3-chlorophenyl)-1,3,5-triazine-2,4-diamine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251214 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS84688-74-4
- Purity/Analytical Methods: >99.0%
84688-74-4 / 6-chloro-2-N,4-N-bis(3-chlorophenyl)-1,3,5-triazine-2,4-diamine
Basic Information
CAS
84688-74-4
Multi CAS
No
Molecular Formula
C15H10CL3N5
Molecular Weight
366.600000
Exact Mass
365.000178
InChI
InChI=1S/C15H10Cl3N5/c16-9-3-1-5-11(7-9)19-14-21-13(18)22-15(23-14)20-12-6-2-4-10(17)8-12/h1-8H,(H2,19,20,21,22,23)
InChIKey
TYANABJNBYMPNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
94.31
TPSA
62.73
LogP / Solubility
WLOGP
5.32
MLOGP
4.7
XLogP3
5.9
Consensus LogP
5.31
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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