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CAS 61414-16-2 2,4,6-TRIS(4-CARBOXYPHENYL)-1,3,5-TRIAZINE molecular structure lightbox
CAS RN: 61414-16-2

2,4,6-TRIS(4-CARBOXYPHENYL)-1,3,5-TRIAZINE

Product Availability

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 1g In stock Inquiry
Batchno.20250728 250mg In stock Inquiry
Batchno.20260315 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20251016 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250110 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251122 25g In stock Shanghai Inquiry
Batchno.20250427 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-170310
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 61414-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

61414-16-2 / 4-[4,6-bis(4-carboxyphenyl)-1,3,5-triazin-2-yl]benzoic acid

Standard CAS: 61414-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61414-16-2
Multi CAS
No
Molecular Formula
C24H15N3O6
Molecular Weight
441.400000
Exact Mass
441.096085
InChI
InChI=1S/C24H15N3O6/c28-22(29)16-7-1-13(2-8-16)19-25-20(14-3-9-17(10-4-14)23(30)31)27-21(26-19)15-5-11-18(12-6-15)24(32)33/h1-12H,(H,28,29)(H,30,31)(H,32,33)
InChIKey
MSFXUHUYNSYIDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
117.01
TPSA
150.57

LogP / Solubility

WLOGP
3.97
MLOGP
3.52
XLogP3
3.5
Consensus LogP
3.66
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

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

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