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CAS 222-93-5 PENTAPHENE molecular structure lightbox
CAS RN: 222-93-5

PENTAPHENE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250916 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20250711 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250103 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260103 50mg In stock Shanghai Inquiry
Batchno.20250716 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS222-93-5
  • Purity/Analytical Methods: >99.0%
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222-93-5 / pentaphene

Standard CAS: 222-93-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
222-93-5
Multi CAS
No
Molecular Formula
C22H14
Molecular Weight
278.300000
Exact Mass
278.109550
SMILES
C1=CC=C2C=C3C(=CC2=C1)C=CC4=CC5=CC=CC=C5C=C43
InChI
InChI=1S/C22H14/c1-3-7-17-13-21-19(11-15(17)5-1)9-10-20-12-16-6-2-4-8-18(16)14-22(20)21/h1-14H
InChIKey
JQQSUOJIMKJQHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
22
Molar refractivity
96.47
TPSA
0.0000

LogP / Solubility

WLOGP
6.3
MLOGP
5.55
XLogP3
6.7
Consensus LogP
6.18
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble

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)
0.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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