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CAS 21002-15-3 2,4-Dimethoxy-6-phenoxy-s-triazin molecular structure lightbox
CAS RN: 21002-15-3

2,4-Dimethoxy-6-phenoxy-s-triazin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251109 250mg Out of stock 15 business days Inquiry
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21002-15-3 / 2,4-dimethoxy-6-phenoxy-1,3,5-triazine

2,4-dimethoxy-6-phenoxy-1,3,5-triazine | Cambridge id 5302851 | SCHEMBL5198118

Standard CAS: 21002-15-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21002-15-3
Multi CAS
No
Molecular Formula
C11H11N3O3
Molecular Weight
233.220000
Exact Mass
233.080041
SMILES
COC1=NC(=NC(=N1)OC2=CC=CC=C2)OC
InChI
InChI=1S/C11H11N3O3/c1-15-9-12-10(16-2)14-11(13-9)17-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
HVCBQSGONOBZOZ-UHFFFAOYSA-N
Synonyms
2,4-dimethoxy-6-phenoxy-1,3,5-triazine Cambridge id 5302851 SCHEMBL5198118 CCG-2504 STK371849

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
59.45
TPSA
66.36

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
2.4
Consensus LogP
1.85
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

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

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