CAS RN: 2272-23-3
4,6-dichloro-N-(2-methylphenyl)-1,3,5-triazin-2-amine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251021 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2272-23-3
- Purity/Analytical Methods: >99.0%
2272-23-3 / 4,6-dichloro-N-(2-methylphenyl)-1,3,5-triazin-2-amine
Basic Information
CAS
2272-23-3
Multi CAS
No
Molecular Formula
C10H8Cl2N4
Molecular Weight
255.100000
Exact Mass
254.012602
SMILES
CC1=CC=CC=C1NC2=NC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C10H8Cl2N4/c1-6-4-2-3-5-7(6)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H,13,14,15,16)
InChIKey
OPFSBBBDOCTPCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.31
TPSA
50.7
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
4
Consensus LogP
3.36
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
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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