![CAS 56382-53-7 2,4,6-Tri-thiophen-2-yl-[1,3,5]triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/18588300.png)
CAS RN: 56382-53-7
2,4,6-Tri-thiophen-2-yl-[1,3,5]triazine
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: LINT913993
56382-53-7 / 2,4,6-trithiophen-2-yl-1,3,5-triazine
Basic Information
CAS
56382-53-7
Multi CAS
No
Molecular Formula
C15H9N3S3
Molecular Weight
327.500000
Exact Mass
326.995861
InChI
InChI=1S/C15H9N3S3/c1-4-10(19-7-1)13-16-14(11-5-2-8-20-11)18-15(17-13)12-6-3-9-21-12/h1-9H
InChIKey
NJIOTNJBYBDXMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
21
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
89.77
TPSA
38.67
LogP / Solubility
WLOGP
5.06
MLOGP
4.47
XLogP3
4.1
Consensus LogP
4.54
Log S (ESOL)
-5.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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