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CAS 913343-74-5 5′,5””-(anthracene-9,10-diyl)bis(([1,1′:3′,1”-terphenyl]-4,4”-dicarboxylic acid)) molecular structure lightbox
CAS RN: 913343-74-5

5′,5””-(anthracene-9,10-diyl)bis(([1,1′:3′,1”-terphenyl]-4,4”-dicarboxylic acid))

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS913343-74-5
  • Purity/Analytical Methods: >99.0%
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913343-74-5 / 4-[3-[10-[3,5-bis(4-carboxyphenyl)phenyl]anthracen-9-yl]-5-(4-carboxyphenyl)phenyl]benzoic acid

Standard CAS: 913343-74-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
913343-74-5
Multi CAS
Yes
Molecular Formula
C54H34O8
Molecular Weight
810.800000
Exact Mass
810.225368
InChI
InChI=1S/C54H34O8/c55-51(56)35-17-9-31(10-18-35)39-25-40(32-11-19-36(20-12-32)52(57)58)28-43(27-39)49-45-5-1-2-6-46(45)50(48-8-4-3-7-47(48)49)44-29-41(33-13-21-37(22-14-33)53(59)60)26-42(30-44)34-15-23-38(24-16-34)54(61)62/h1-30H,(H,55,56)(H,57,58)(H,59,60)(H,61,62)
InChIKey
VBYOYAJNZNBKCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
62
Aromatic heavy atom count
50
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
4
Molar refractivity
241.91
TPSA
149.2

LogP / Solubility

WLOGP
12.79
MLOGP
11.33
XLogP3
12.3
Consensus LogP
12.14
Log S (ESOL)
-12.86
Class (ESOL)
Insoluble
Log S (Ali)
-15.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.74
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)
1.41

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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