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CAS 25116-35-2 2-(1-NAPHTHYLMETHYLENE)-1H-INDENE-1,3(2H)-DIONE molecular structure lightbox
CAS RN: 25116-35-2

2-(1-NAPHTHYLMETHYLENE)-1H-INDENE-1,3(2H)-DIONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS25116-35-2
  • Purity/Analytical Methods: >99.0%
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25116-35-2 / 2-(naphthalen-1-ylmethylidene)indene-1,3-dione

Standard CAS: 25116-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25116-35-2
Multi CAS
No
Molecular Formula
C20H12O2
Molecular Weight
284.300000
Exact Mass
284.083730
InChI
InChI=1S/C20H12O2/c21-19-16-10-3-4-11-17(16)20(22)18(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H
InChIKey
RKTHUQXKUDGALL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
87.03
TPSA
34.14

LogP / Solubility

WLOGP
4.3
MLOGP
3.8
XLogP3
4.8
Consensus LogP
4.3
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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