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CAS 501-26-8 m-[(Z)-8-Pentadecenyl]phenol molecular structure lightbox
CAS RN: 501-26-8

m-[(Z)-8-Pentadecenyl]phenol

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 10mg In stock Shanghai Inquiry
Batchno.20251119 1mg In stock Shanghai Inquiry
Batchno.20251003 25mg In stock Shanghai Inquiry
Batchno.20250810 50mg In stock Shanghai Inquiry
Batchno.20260211 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS501-26-8
  • Purity/Analytical Methods: >99.0%
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501-26-8 / 3-pentadec-8-enylphenol

Standard CAS: 501-26-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
501-26-8
Multi CAS
Yes
Molecular Formula
C21H34O
Molecular Weight
302.500000
Exact Mass
302.260966
InChI
InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,17-19,22H,2-6,9-14,16H2,1H3
InChIKey
YLKVIMNNMLKUGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
97.41
TPSA
20.23

LogP / Solubility

WLOGP
6.8
MLOGP
6
XLogP3
8.5
Consensus LogP
7.1
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.83
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)
0.26

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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