CAS RN: 4430-09-5
N N-DI-N-HEXYLANILINE 97
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.20260104 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4430-09-5
- Purity/Analytical Methods: >99.0%
4430-09-5 / N,N-dihexylaniline
Basic Information
CAS
4430-09-5
Multi CAS
No
Molecular Formula
C18H31N
Molecular Weight
261.400000
Exact Mass
261.245650
InChI
InChI=1S/C18H31N/c1-3-5-7-12-16-19(17-13-8-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKey
DGYRVXQIGUEFFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
86.94
TPSA
3.24
LogP / Solubility
WLOGP
5.65
MLOGP
4.98
XLogP3
6.7
Consensus LogP
5.78
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
