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CAS 18512-61-3 9,10-divinylanthracene molecular structure lightbox
CAS RN: 18512-61-3

9,10-divinylanthracene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260404 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS18512-61-3
  • Purity/Analytical Methods: >99.0%
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18512-61-3 / 9,10-bis(ethenyl)anthracene

Standard CAS: 18512-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18512-61-3
Multi CAS
No
Molecular Formula
C18H14
Molecular Weight
230.300000
Exact Mass
230.109550
SMILES
C=CC1=C2C=CC=CC2=C(C3=CC=CC=C31)C=C
InChI
InChI=1S/C18H14/c1-3-13-15-9-5-7-11-17(15)14(4-2)18-12-8-6-10-16(13)18/h3-12H,1-2H2
InChIKey
OHZORFZODBFHKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
2
Molar refractivity
81.64
TPSA
0.0000

LogP / Solubility

WLOGP
5.28
MLOGP
4.65
XLogP3
6.5
Consensus LogP
5.48
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
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)
-0.38

Drug-likeness / Medicinal Chemistry

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

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