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CAS 6969-16-0 2-Tridecenoic Acid molecular structure lightbox
CAS RN: 6969-16-0

2-Tridecenoic Acid

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4 package records0 with current stock1 grade group
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Batchno.20250128 100g Out of stock Inquiry
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Batchno.20251004 5g Out of stock Inquiry
  • Product code: ICTT0759
  • Purity/Analytical Methods: >80.0%(GC)
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6969-16-0 / tridec-2-enoic acid

Standard CAS: 6969-16-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6969-16-0
Multi CAS
Yes
Molecular Formula
C13H24O2
Molecular Weight
212.330000
Exact Mass
212.177630
InChI
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)
InChIKey
GQVYBECSNBLQJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.77
Rotatable bonds
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64
TPSA
37.3

LogP / Solubility

WLOGP
4.16
MLOGP
3.66
XLogP3
5.4
Consensus LogP
4.41
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
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)
-1.06

Drug-likeness / Medicinal Chemistry

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

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