[email protected]
CAS 26186-02-7 1-TRIDECYNE molecular structure lightbox
CAS RN: 26186-02-7

1-TRIDECYNE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS26186-02-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

26186-02-7 / tridec-1-yne

Standard CAS: 26186-02-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26186-02-7
Multi CAS
No
Molecular Formula
C13H24
Molecular Weight
180.330000
Exact Mass
180.187801
SMILES
CCCCCCCCCCCC#C
InChI
InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3
InChIKey
GZEDKDBFUBPZNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.85
Rotatable bonds
9
Molar refractivity
60.68
TPSA
0.0000

LogP / Solubility

WLOGP
4.54
MLOGP
3.99
XLogP3
6.2
Consensus LogP
4.91
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
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)
-0.6

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
1.5

Customers Also Viewed

Get In Touch

Contact Us