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CAS 501-24-6 3-Pentadecylphenol molecular structure lightbox
CAS RN: 501-24-6

3-Pentadecylphenol

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260629 25g / 100g / 500g / 2.5kg / 10kg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250416 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: ICTP1202
  • Purity/Analytical Methods: >90.0%(GC)
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501-24-6 / 3-pentadecylphenol

Standard CAS: 501-24-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
501-24-6
Multi CAS
No
Molecular Formula
C21H36O
Molecular Weight
304.500000
Exact Mass
304.276616
InChI
InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
InChIKey
PTFIPECGHSYQNR-UHFFFAOYSA-N

Physical Properties

Melting Point
54.5 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
97.51
TPSA
20.23

LogP / Solubility

WLOGP
7.03
MLOGP
6.2
XLogP3
9.4
Consensus LogP
7.54
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.15
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
No
Log Kp (skin permeation)
0.41

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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