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CAS 32155-34-3 9,10-Dioxo-9,10-dihydrophenanthrene-3-carboxylic acid molecular structure lightbox
CAS RN: 32155-34-3

9,10-Dioxo-9,10-dihydrophenanthrene-3-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251226 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS32155-34-3
  • Purity/Analytical Methods: >99.0%
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32155-34-3 / 9,10-dioxophenanthrene-3-carboxylic acid

Standard CAS: 32155-34-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32155-34-3
Multi CAS
No
Molecular Formula
C15H8O4
Molecular Weight
252.220000
Exact Mass
252.042259
InChI
InChI=1S/C15H8O4/c16-13-10-4-2-1-3-9(10)12-7-8(15(18)19)5-6-11(12)14(13)17/h1-7H,(H,18,19)
InChIKey
DKIFEYAEWKRYFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.5
TPSA
71.44

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
2
Consensus LogP
2.19
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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