CAS RN: 823-62-1
dichloro-1,2,4-triazin-5-amine
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS823-62-1
- Purity/Analytical Methods: >99.0%
823-62-1 / 3,6-dichloro-1,2,4-triazin-5-amine
Basic Information
CAS
823-62-1
Multi CAS
No
Molecular Formula
C3H2CL2N4
Molecular Weight
164.980000
Exact Mass
163.965652
InChI
InChI=1S/C3H2Cl2N4/c4-1-2(6)7-3(5)9-8-1/h(H2,6,7,9)
InChIKey
PHOGCRPGOBSSEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
34.26
TPSA
64.69
LogP / Solubility
WLOGP
0.76
MLOGP
0.67
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS823-86-9
- Purity/Analytical method: >99.0%
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