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CAS 202-33-5 benz(j)aceanthrylene molecular structure lightbox
CAS RN: 202-33-5

benz(j)aceanthrylene

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260406 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS202-33-5
  • Purity/Analytical Methods: >99.0%
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202-33-5 / benzo[j]aceanthrylene

Standard CAS: 202-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202-33-5
Multi CAS
No
Molecular Formula
C20H12
Molecular Weight
252.300000
Exact Mass
252.093900
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC=C5C4=C3C=C5
InChI
InChI=1S/C20H12/c1-2-7-16-13(4-1)8-10-17-18-11-9-14-5-3-6-15(20(14)18)12-19(16)17/h1-12H
InChIKey
OSKRAISUPBTHCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Molar refractivity
87.89
TPSA
0.0000

LogP / Solubility

WLOGP
5.63
MLOGP
4.96
XLogP3
6.2
Consensus LogP
5.6
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-0.26

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
2.5

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