CAS RN: 30673-36-0
Butyl Decanoate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: ICTD0020
- Purity/Analytical Methods: >98.0%(GC)
30673-36-0 / butyl decanoate
Basic Information
CAS
30673-36-0
Multi CAS
No
Molecular Formula
C14H28O2
Molecular Weight
228.370000
Exact Mass
228.208930
InChI
InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3
InChIKey
ZRNCNTSXSYXHOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
68.48
TPSA
26.3
LogP / Solubility
WLOGP
4.47
MLOGP
3.94
XLogP3
5.4
Consensus LogP
4.6
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
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)
-0.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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