CAS RN: 2319-29-1
Decanamide
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
- Product code: ICTC1331
- Purity/Analytical Methods: >98.0%(GC)
2319-29-1 / decanamide
Basic Information
CAS
2319-29-1
Multi CAS
No
Molecular Formula
C10H21NO
Molecular Weight
171.280000
Exact Mass
171.162314
SMILES
CCCCCCCCCC(=O)N
InChI
InChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H2,11,12)
InChIKey
TUTWLYPCGCUWQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.8
TPSA
43.09
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
3.4
Consensus LogP
2.77
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
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
