CAS RN: 2024602-96-6
Oleylammonium Bromide
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.20250202 | 25mg / 100mg / 500mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINO904403
2024602-96-6 / (Z)-octadec-9-en-1-amine;hydrobromide
Basic Information
CAS
2024602-96-6
Multi CAS
No
Molecular Formula
C18H38BrN
Molecular Weight
348.400000
Exact Mass
347.218760
SMILES
CCCCCCCC/C=C\CCCCCCCCN.Br
InChI
InChI=1S/C18H37N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-19H2,1H3;1H/b10-9-;
InChIKey
BUMIZIPMPLOMLF-KVVVOXFISA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.89
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
98.83
TPSA
26.02
LogP / Solubility
WLOGP
6.56
MLOGP
5.79
XLogP3
6.56
Consensus LogP
6.3
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
