CAS RN: 39260-89-4
P-BROMOPHENETHYL AMINE HYDROCHLORIDE
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.20260422 | 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS39260-89-4
- Purity/Analytical Methods: >99.0%
39260-89-4 / 2-(4-bromophenyl)ethanamine;hydrochloride
Basic Information
CAS
39260-89-4
Multi CAS
No
Molecular Formula
C8H11BRCLN
Molecular Weight
236.530000
Exact Mass
234.976340
InChI
InChI=1S/C8H10BrN.ClH/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKey
ZHAWIPAHUYMLDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.15
TPSA
26.02
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.37
Consensus LogP
2.28
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
N’-(2-CYANO-4-NITROPHENYL)-N,N-DIMETHYLIMINOFORMAMIDE
- CAS RN: 39263-34-8
- Product Code: starshine_CAS39263-34-8
- Purity/Analytical method: >99.0%
-
2-PHENYL-1,2,4-TRIAZASPIRO[4.5]DEC-3-ENE-3-THIOL
- CAS RN: 39263-81-5
- Product Code: starshine_CAS39263-81-5
- Purity/Analytical method: >99.0%
-
-
-
-
![CAS 39263-81-5 2-PHENYL-1,2,4-TRIAZASPIRO[4.5]DEC-3-ENE-3-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/39263-81-5.gif)
