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CAS 179803-79-3 4,4′-(anthracene-9,10-diyl)diphenol molecular structure lightbox
CAS RN: 179803-79-3

4,4′-(anthracene-9,10-diyl)diphenol

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251224 100mg In stock Shanghai Inquiry
Batchno.20260402 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250701 1g In stock Shanghai Inquiry
Batchno.20250605 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS179803-79-3
  • Purity/Analytical Methods: >99.0%
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179803-79-3 / 4-[10-(4-hydroxyphenyl)anthracen-9-yl]phenol

Standard CAS: 179803-79-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179803-79-3
Multi CAS
No
Molecular Formula
C26H18O2
Molecular Weight
362.400000
Exact Mass
362.130680
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)O)C5=CC=C(C=C5)O
InChI
InChI=1S/C26H18O2/c27-19-13-9-17(10-14-19)25-21-5-1-2-6-22(21)26(18-11-15-20(28)16-12-18)24-8-4-3-7-23(24)25/h1-16,27-28H
InChIKey
OPKQAOBTBQLNCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
26
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
115.66
TPSA
40.46

LogP / Solubility

WLOGP
6.74
MLOGP
5.95
XLogP3
7
Consensus LogP
6.56
Log S (ESOL)
-6.89
Class (ESOL)
Insoluble
Log S (Ali)
-7.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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