CAS RN: 1048664-14-7
TIMTEC-BB SBB010032
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.20250307 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1048664-14-7
- Purity/Analytical Methods: >99.0%
1048664-14-7 / 1-[4-(2-bromoethyl)piperazin-1-yl]ethanone;hydrobromide
1-acetyl-4-(2-bromoethyl)piperazine hydrobromide | RefChem:428996 | 881-548-5
Basic Information
CAS
1048664-14-7
Multi CAS
No
Molecular Formula
C8H16Br2N2O
Molecular Weight
316.030000
Exact Mass
315.960890
SMILES
CC(=O)N1CCN(CC1)CCBr.Br
InChI
InChI=1S/C8H15BrN2O.BrH/c1-8(12)11-6-4-10(3-2-9)5-7-11;/h2-7H2,1H3;1H
InChIKey
FBZZFKNGDDHMPS-UHFFFAOYSA-N
Synonyms
1-acetyl-4-(2-bromoethyl)piperazine hydrobromide
RefChem:428996
881-548-5
1-(4-(2-Bromoethyl)piperazin-1-yl)ethanone hydrobromide
1-[4-(2-bromoethyl)piperazin-1-yl]ethanone;hydrobromide
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.81
TPSA
23.55
LogP / Solubility
WLOGP
1.12
MLOGP
1
XLogP3
1.12
Consensus LogP
1.08
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
Cis-3-Hydroxycyclopentanecarbonitrile
- CAS RN: 1048668-05-8
- Product Code: starshine_CAS1048668-05-8
- Purity/Analytical method: >99.0%
-
-
“S-1-(3,5-bis(trifluoroMethyl)phenyl)-3-(1-(diMethylaMino)-3-Methylbutan-2-yl)thiourea”
- CAS RN: 1048692-50-7
- Product Code: starshine_CAS1048692-50-7
- Purity/Analytical method: >99.0%
-
N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(2S)-2-(diMethylaMino)-3-Methylbutyl]- Thiourea
- CAS RN: 1048692-60-9
- Product Code: starshine_CAS1048692-60-9
- Purity/Analytical method: >99.0%
-
“R-1-(3,5-bis(trifluoroMethyl)phenyl)-3-(1-(diMethylaMino)-3-Methylbutan-2-yl)thiourea”
- CAS RN: 1048692-61-0
- Product Code: starshine_CAS1048692-61-0
- Purity/Analytical method: >99.0%
-
![CAS 1048692-60-9 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(2S)-2-(diMethylaMino)-3-Methylbutyl]- Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1048692-60-9.gif)
