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CAS 911818-75-2 1,3,5-Tris(4′-carboxy[1,1′-biphenyl]-4-yl)benzene molecular structure lightbox
CAS RN: 911818-75-2

1,3,5-Tris(4′-carboxy[1,1′-biphenyl]-4-yl)benzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260422 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-204058
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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 911818-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

911818-75-2 / 4-[4-[3,5-bis[4-(4-carboxyphenyl)phenyl]phenyl]phenyl]benzoic acid

Standard CAS: 911818-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
911818-75-2
Multi CAS
No
Molecular Formula
C45H30O6
Molecular Weight
666.700000
Exact Mass
666.204239
InChI
InChI=1S/C45H30O6/c46-43(47)37-19-13-31(14-20-37)28-1-7-34(8-2-28)40-25-41(35-9-3-29(4-10-35)32-15-21-38(22-16-32)44(48)49)27-42(26-40)36-11-5-30(6-12-36)33-17-23-39(24-18-33)45(50)51/h1-27H,(H,46,47)(H,48,49)(H,50,51)
InChIKey
PEQRGMPXYDIZSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
42
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
3
Molar refractivity
199.94
TPSA
111.9

LogP / Solubility

WLOGP
10.78
MLOGP
9.55
XLogP3
10.3
Consensus LogP
10.21
Log S (ESOL)
-10.78
Class (ESOL)
Insoluble
Log S (Ali)
-12.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.02
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)
0.87

Drug-likeness / Medicinal Chemistry

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

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