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CAS 548-39-0 PERINAPHTHENONE molecular structure lightbox
CAS RN: 548-39-0

PERINAPHTHENONE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250518 10g In stock Shanghai Inquiry
Batchno.20250725 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250308 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251219 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS548-39-0
  • Purity/Analytical Methods: >99.0%
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548-39-0 / phenalen-1-one

Standard CAS: 548-39-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
548-39-0
Multi CAS
No
Molecular Formula
C13H8O
Molecular Weight
180.200000
Exact Mass
180.057515
InChI
InChI=1S/C13H8O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8H
InChIKey
WWBGWPHHLRSTFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
57.31
TPSA
17.07

LogP / Solubility

WLOGP
3.05
MLOGP
2.68
XLogP3
3.2
Consensus LogP
2.98
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

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

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