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CAS 3697-24-3 5-METHYLCHRYSENE molecular structure lightbox
CAS RN: 3697-24-3

5-METHYLCHRYSENE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 100mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS3697-24-3
  • Purity/Analytical Methods: >99.0%
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3697-24-3 / 5-methylchrysene

Standard CAS: 3697-24-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3697-24-3
Multi CAS
No
Molecular Formula
C19H14
Molecular Weight
242.300000
Exact Mass
242.109550
InChI
InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3
InChIKey
GOHBXWHNJHENRX-UHFFFAOYSA-N

Physical Properties

Melting Point
117.5 °C
Physical Description
5-methylchrysene appears as purple crystals. Water insoluble. Solid; Exhibits a brilliant bluish-violet fluorescence in ultraviolet light; [HSDB]
Appearance
Needles (recyrstallized from benzene/ethanol) with a brilliant bluish-violet fluorescence in ultraviolet light
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Fraction Csp3
0.05
Molar refractivity
83.7
TPSA
0.0000

LogP / Solubility

WLOGP
5.45
MLOGP
4.81
XLogP3
6
Consensus LogP
5.42
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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)
-0.33

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

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