CAS RN: 951322-11-5
dFBr hydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250606 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS951322-11-5
- Purity/Analytical Methods: >99.0%
951322-11-5 / 2-[6-bromo-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-N-methylethanamine;hydrochloride
Basic Information
CAS
951322-11-5
Multi CAS
No
Molecular Formula
C16H22BRCLN2
Molecular Weight
357.700000
Exact Mass
356.065490
InChI
InChI=1S/C16H21BrN2.ClH/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15;/h5-7,10,18-19H,1,8-9H2,2-4H3;1H
InChIKey
GEZWEAPBLKXKGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
2
Molar refractivity
94.1
TPSA
27.82
LogP / Solubility
WLOGP
4.58
MLOGP
4.05
XLogP3
4.58
Consensus LogP
4.4
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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