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CAS 580-48-3 2,4-DI-(N,N’-DIETHYLAMINO)-6-CHLOROTRIAZINE molecular structure lightbox
CAS RN: 580-48-3

2,4-DI-(N,N’-DIETHYLAMINO)-6-CHLOROTRIAZINE

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3 package records0 with current stock1 grade group
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Batchno.20251103 100mg Out of stock Inquiry
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  • Product code: starshine_CAS580-48-3
  • Purity/Analytical Methods: >99.0%
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580-48-3 / 6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine

Standard CAS: 580-48-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
580-48-3
Multi CAS
Yes
Molecular Formula
C11H20CLN5
Molecular Weight
257.760000
Exact Mass
257.140723
InChI
InChI=1S/C11H20ClN5/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8-4/h5-8H2,1-4H3
InChIKey
QHXDTLYEHWXDSO-UHFFFAOYSA-N

Physical Properties

Melting Point
27 °C
Boiling Point
154-156 °C @ 4.0 MM HG
Density
1.0956 @ 20 °C
Physical Description
Solid; [Hawley] Solid or thick liquid; mp = 27 deg C; [HSDB]
Appearance
CRYSTALS OR OILY LIQUID
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
71.96
TPSA
45.15

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
3.8
Consensus LogP
2.66
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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