[email protected]
CAS 1820-28-6 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-methoxyPhenol molecular structure lightbox
CAS RN: 1820-28-6

2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-methoxyPhenol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260502 25g Out of stock Inquiry
  • Product code: LINP875814
GET A QUOTE

1820-28-6 / 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol

Standard CAS: 1820-28-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820-28-6
Multi CAS
No
Molecular Formula
C26H25N3O2
Molecular Weight
411.500000
Exact Mass
411.194677
SMILES
CC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)OC)O)C4=C(C=C(C=C4)C)C)C
InChI
InChI=1S/C26H25N3O2/c1-15-6-9-20(17(3)12-15)24-27-25(21-10-7-16(2)13-18(21)4)29-26(28-24)22-11-8-19(31-5)14-23(22)30/h6-14,30H,1-5H3
InChIKey
YVYGMKLLSMPARZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
123.3
TPSA
68.13

LogP / Solubility

WLOGP
5.82
MLOGP
5.15
XLogP3
6
Consensus LogP
5.66
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us