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CAS 21320-63-8 4-Chloro-N,N,6-Trimethyl-1,3,5-Triazin-2-Amine molecular structure lightbox
CAS RN: 21320-63-8

4-Chloro-N,N,6-Trimethyl-1,3,5-Triazin-2-Amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251010 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS21320-63-8
  • Purity/Analytical Methods: >99.0%
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21320-63-8 / 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine

Standard CAS: 21320-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21320-63-8
Multi CAS
No
Molecular Formula
C6H9ClN4
Molecular Weight
172.610000
Exact Mass
172.051574
SMILES
CC1=NC(=NC(=N1)Cl)N(C)C
InChI
InChI=1S/C6H9ClN4/c1-4-8-5(7)10-6(9-4)11(2)3/h1-3H3
InChIKey
AWAOCZPYQILHIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.9
TPSA
41.91

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
1.8
Consensus LogP
1.16
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.13

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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