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CAS 136022-04-3 Tetradec-1-Yn-3-Ol molecular structure lightbox
CAS RN: 136022-04-3

Tetradec-1-Yn-3-Ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250206 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS136022-04-3
  • Purity/Analytical Methods: >99.0%
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136022-04-3 / tetradec-1-yn-3-ol

Standard CAS: 136022-04-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
136022-04-3
Multi CAS
No
Molecular Formula
C14H26O
Molecular Weight
210.360000
Exact Mass
210.198365
SMILES
CCCCCCCCCCCC(C#C)O
InChI
InChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h2,14-15H,3,5-13H2,1H3
InChIKey
XBMBRECRKQFYAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.86
Rotatable bonds
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.68
TPSA
20.23

LogP / Solubility

WLOGP
3.9
MLOGP
3.43
XLogP3
5.3
Consensus LogP
4.21
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

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)
-1.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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