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CAS 190-26-1 OVALENE molecular structure lightbox
CAS RN: 190-26-1

OVALENE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260303 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS190-26-1
  • Purity/Analytical Methods: >99.0%
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190-26-1 / ovalene

Standard CAS: 190-26-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190-26-1
Multi CAS
No
Molecular Formula
C32H14
Molecular Weight
398.500000
Exact Mass
398.109550
SMILES
C1=CC2=C3C4=C1C=CC5=CC6=C7C8=C(C=CC9=C8C1=C(C=C9)C=C(C3=C1C7=C54)C=C2)C=C6
InChI
InChI=1S/C32H14/c1-2-16-6-10-20-14-22-12-8-18-4-3-17-7-11-21-13-19-9-5-15(1)23-24(16)28(20)32-30(22)26(18)25(17)29(21)31(32)27(19)23/h1-14H
InChIKey
LSQODMMMSXHVCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
32
Molar refractivity
139.93
TPSA
0.0000

LogP / Solubility

WLOGP
9.25
MLOGP
8.17
XLogP3
10
Consensus LogP
9.14
Log S (ESOL)
-8.88
Class (ESOL)
Insoluble
Log S (Ali)
-9.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.93
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)
1.42

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
6

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