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CAS 83536-16-7 3′,4′,5′,6′-tetrakis(4-carboxyphenyl)-[1,1′:2′,1”-Terphenyl]-4,4”-dicarboxylic acid molecular structure lightbox
CAS RN: 83536-16-7

3′,4′,5′,6′-tetrakis(4-carboxyphenyl)-[1,1′:2′,1”-Terphenyl]-4,4”-dicarboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260215 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong 5-7 business days Inquiry
  • Product code: SSC-191325
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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: ≥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 83536-16-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

83536-16-7 / 4-[2,3,4,5,6-pentakis(4-carboxyphenyl)phenyl]benzoic acid

Standard CAS: 83536-16-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83536-16-7
Multi CAS
No
Molecular Formula
C48H30O12
Molecular Weight
798.700000
Exact Mass
798.173726
InChI
InChI=1S/C48H30O12/c49-43(50)31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)44(51)52)40(28-7-19-34(20-8-28)46(55)56)42(30-11-23-36(24-12-30)48(59)60)41(29-9-21-35(22-10-29)47(57)58)39(37)27-5-17-33(18-6-27)45(53)54/h1-24H,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChIKey
LUIFAWBWDOLINT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
60
Aromatic heavy atom count
42
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
6
Molar refractivity
220.81
TPSA
223.8

LogP / Solubility

WLOGP
9.88
MLOGP
8.76
XLogP3
8.8
Consensus LogP
9.15
Log S (ESOL)
-10.74
Class (ESOL)
Insoluble
Log S (Ali)
-13.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.49
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)
-0.58

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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