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CAS 88498-43-5 4,4′-(1,10-Phenanthroline-2,9-diyl)diphenol molecular structure lightbox
CAS RN: 88498-43-5

4,4′-(1,10-Phenanthroline-2,9-diyl)diphenol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260420 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS88498-43-5
  • Purity/Analytical Methods: >99.0%
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88498-43-5 / 4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol

Standard CAS: 88498-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88498-43-5
Multi CAS
No
Molecular Formula
C24H16N2O2
Molecular Weight
364.400000
Exact Mass
364.121178
InChI
InChI=1S/C24H16N2O2/c27-19-9-3-15(4-10-19)21-13-7-17-1-2-18-8-14-22(26-24(18)23(17)25-21)16-5-11-20(28)12-6-16/h1-14,27-28H
InChIKey
GTOXEYAZDAJKFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
26
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
111.25
TPSA
66.24

LogP / Solubility

WLOGP
5.53
MLOGP
4.88
XLogP3
5.1
Consensus LogP
5.17
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.02

Drug-likeness / Medicinal Chemistry

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

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