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CAS 3674-74-6 2-ETHYLPHENANTHRENE molecular structure lightbox
CAS RN: 3674-74-6

2-ETHYLPHENANTHRENE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3674-74-6
  • Purity/Analytical Methods: >99.0%
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3674-74-6 / 2-ethylphenanthrene

Standard CAS: 3674-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3674-74-6
Multi CAS
No
Molecular Formula
C16H14
Molecular Weight
206.280000
Exact Mass
206.109550
InChI
InChI=1S/C16H14/c1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16/h3-11H,2H2,1H3
InChIKey
UMAHMIHRNVICDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
Fraction Csp3
0.12
Rotatable bonds
1
Molar refractivity
70.83
TPSA
0.0000

LogP / Solubility

WLOGP
4.56
MLOGP
4.01
XLogP3
5.6
Consensus LogP
4.72
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
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)
-0.74

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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