![CAS 94427-22-2 [[(7-Bromoheptyl)oxy]methyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6162-jpgcontextbwfzdgvyfhjvb3r8mtk3otz8aw1hz2uvanblz3xozdgvada2lzkwotmxotq5nzmymtqvqjyxnjiuanbnfdq0nznhmta5ymq2nwnlnwi4ngi3m2mwnmuznzq1zmi3ztnmndbinjnmyti2mjczyjizyzdinteynmu3mdnjnjq.jpeg)
CAS RN: 94427-22-2
[[(7-Bromoheptyl)oxy]methyl]benzene
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.20250902 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTB6162
- Purity/Analytical Methods: >98.0%(GC)
94427-22-2 / 7-bromoheptoxymethylbenzene
Basic Information
CAS
94427-22-2
Multi CAS
No
Molecular Formula
C14H21BRO
Molecular Weight
285.220000
Exact Mass
284.077580
InChI
InChI=1S/C14H21BrO/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2
InChIKey
BZMIZZYCYWAKIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
72.98
TPSA
9.23
LogP / Solubility
WLOGP
4.55
MLOGP
4.01
XLogP3
4.3
Consensus LogP
4.29
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
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)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
