CAS RN: 2172274-44-9
(S)-1-(3-BROMOPHENYL)ETHANAMINE 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.20260522 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-104703
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.25g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2172274-44-9 / (1S)-1-(3-bromophenyl)ethanamine;hydrochloride
Basic Information
CAS
2172274-44-9
Multi CAS
No
Molecular Formula
C8H11BrClN
Molecular Weight
236.530000
Exact Mass
234.976340
SMILES
C[C@@H](C1=CC(=CC=C1)Br)N.Cl
InChI
InChI=1S/C8H10BrN.ClH/c1-6(10)7-3-2-4-8(9)5-7;/h2-6H,10H2,1H3;1H/t6-;/m0./s1
InChIKey
JEZBIRPQFCGDRY-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.99
TPSA
26.02
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.89
Consensus LogP
2.78
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
3,4,5-Trihydroxyallylbenzene 3,4-di-O-glucoside
- CAS RN: 2172431-63-7
- Product Code: starshine_CAS2172431-63-7
- Purity/Analytical method: >99.0%
-
-
7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
- CAS RN: 2172466-50-9
- Product Code: SSC-104722
-
2-[(cyanomethyl)({[(9H-fluoren-9-yl)methoxy]carbonyl})amino]acetic acid
- CAS RN: 2172570-83-9
- Product Code: SSC-104743
-
-
YKL 06-061
- CAS RN: 2172617-15-9
- Product Code: starshine_CAS2172617-15-9
- Purity/Analytical method: >99.0%
![CAS 2172466-50-9 7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172466-50-9.png)
![CAS 2172570-83-9 2-[(cyanomethyl)({[(9H-fluoren-9-yl)methoxy]carbonyl})amino]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172570-83-9.png)
