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CAS 63623-49-4 7(Z)-Pentacosene molecular structure lightbox
CAS RN: 63623-49-4

7(Z)-Pentacosene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS63623-49-4
  • Purity/Analytical Methods: >99.0%
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63623-49-4 / pentacos-7-ene

Standard CAS: 63623-49-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63623-49-4
Multi CAS
Yes
Molecular Formula
C25H50
Molecular Weight
350.700000
Exact Mass
350.391252
InChI
InChI=1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-25H2,1-2H3/b15-13-
InChIKey
RORWYUWDGGVNRJ-SQFISAMPSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.92
Rotatable bonds
21
Molar refractivity
117.45
TPSA
0.0000

LogP / Solubility

WLOGP
9.77
MLOGP
8.62
XLogP3
12.8
Consensus LogP
10.4
Log S (ESOL)
-6.79
Class (ESOL)
Insoluble
Log S (Ali)
-9.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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