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CAS 1668-53-7 2-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine molecular structure lightbox
CAS RN: 1668-53-7

2-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250724 1g In stock Shanghai Inquiry
Batchno.20251221 25g In stock Shanghai Inquiry
Batchno.20260408 5g In stock Shanghai Inquiry
  • Product code: SSC-072776
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1668-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Beijing Inquiry

1668-53-7 / 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol

Standard CAS: 1668-53-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1668-53-7
Multi CAS
No
Molecular Formula
C25H23N3O2
Molecular Weight
397.500000
Exact Mass
397.179027
SMILES
CC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4)C)C)C
InChI
InChI=1S/C25H23N3O2/c1-14-5-8-19(16(3)11-14)23-26-24(20-9-6-15(2)12-17(20)4)28-25(27-23)21-10-7-18(29)13-22(21)30/h5-13,29-30H,1-4H3
InChIKey
FROCQMFXPIROOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
118.41
TPSA
79.13

LogP / Solubility

WLOGP
5.52
MLOGP
4.88
XLogP3
5.7
Consensus LogP
5.37
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.23

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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