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CAS 16346-16-0 14-pentadecen-1-ol molecular structure lightbox
CAS RN: 16346-16-0

14-pentadecen-1-ol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250114 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS16346-16-0
  • Purity/Analytical Methods: >99.0%
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16346-16-0 / pentadec-14-en-1-ol

Standard CAS: 16346-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16346-16-0
Multi CAS
No
Molecular Formula
C15H30O
Molecular Weight
226.400000
Exact Mass
226.229666
SMILES
C=CCCCCCCCCCCCCCO
InChI
InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2,16H,1,3-15H2
InChIKey
QXJGFMOPNSNODQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.87
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
72.69
TPSA
20.23

LogP / Solubility

WLOGP
4.85
MLOGP
4.27
XLogP3
6.2
Consensus LogP
5.11
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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