CAS RN: 446838-10-4
N-benzoyl-2-ethylhexylamine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250709 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS446838-10-4
- Purity/Analytical Methods: >99.0%
446838-10-4 / N-(2-ethylhexyl)benzamide
Basic Information
CAS
446838-10-4
Multi CAS
No
Molecular Formula
C15H23NO
Molecular Weight
233.350000
Exact Mass
233.177964
InChI
InChI=1S/C15H23NO/c1-3-5-9-13(4-2)12-16-15(17)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,16,17)
InChIKey
HSJYKKAHUWSVNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
72.08
TPSA
29.1
LogP / Solubility
WLOGP
3.63
MLOGP
3.2
XLogP3
4.3
Consensus LogP
3.71
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly 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)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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