CAS RN: 693-67-4
1-Bromoundecane
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251228 | 5ml / 25ml / 100ml / 500ml | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: ICTB0934
- Purity/Analytical Methods: >98.0%(GC)
693-67-4 / 1-bromoundecane
Basic Information
CAS
693-67-4
Multi CAS
No
Molecular Formula
C11H23BR
Molecular Weight
235.200000
Exact Mass
234.098310
InChI
InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChIKey
IKPSIIAXIDAQLG-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
9
Molar refractivity
61.02
TPSA
0.0000
LogP / Solubility
WLOGP
4.91
MLOGP
4.33
XLogP3
6.5
Consensus LogP
5.25
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
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)
-0.67
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
