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CAS 1331756-62-7 4′,4”’,4””’-(1,3,5-triazine-2,4,6-triyl)tris(([1,1′-biphenyl]-4-carboxylic acid)) molecular structure lightbox
CAS RN: 1331756-62-7

4′,4”’,4””’-(1,3,5-triazine-2,4,6-triyl)tris(([1,1′-biphenyl]-4-carboxylic acid))

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250307 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-039842
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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: 1g
  • Available purity: ＞97%
  • 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 1331756-62-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1331756-62-7 / 4-[4-[4,6-bis[4-(4-carboxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzoic acid

Standard CAS: 1331756-62-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1331756-62-7
Multi CAS
No
Molecular Formula
C42H27N3O6
Molecular Weight
669.700000
Exact Mass
669.189986
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O)C6=CC=C(C=C6)C7=CC=C(C=C7)C(=O)O
InChI
InChI=1S/C42H27N3O6/c46-40(47)34-19-7-28(8-20-34)25-1-13-31(14-2-25)37-43-38(32-15-3-26(4-16-32)29-9-21-35(22-10-29)41(48)49)45-39(44-37)33-17-5-27(6-18-33)30-11-23-36(24-12-30)42(50)51/h1-24H,(H,46,47)(H,48,49)(H,50,51)
InChIKey
WCKARIXPDNMKGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
42
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
193.32
TPSA
150.57

LogP / Solubility

WLOGP
8.97
MLOGP
7.95
XLogP3
8.4
Consensus LogP
8.44
Log S (ESOL)
-9.66
Class (ESOL)
Insoluble
Log S (Ali)
-11.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.44

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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