CAS RN: 730-25-6
Octanamide, N-(3,4-dichlorophenyl)-
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.20250521 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS730-25-6
- Purity/Analytical Methods: >99.0%
730-25-6 / N-(3,4-dichlorophenyl)octanamide
Basic Information
CAS
730-25-6
Multi CAS
No
Molecular Formula
C14H19CL2NO
Molecular Weight
288.200000
Exact Mass
287.084370
InChI
InChI=1S/C14H19Cl2NO/c1-2-3-4-5-6-7-14(18)17-11-8-9-12(15)13(16)10-11/h8-10H,2-7H2,1H3,(H,17,18)
InChIKey
SZKXTFXJAMTZJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
78.47
TPSA
29.1
LogP / Solubility
WLOGP
5.29
MLOGP
4.67
XLogP3
5.8
Consensus LogP
5.25
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.77
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.72
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
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