CAS RN: 15159-65-6
(S)-(+)-2-Amino-4-bromobutyric Acid Hydrobromide
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250614 | 200mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTA1450
- Purity/Analytical Methods: >98.0%(T)(N)
15159-65-6 / (2S)-2-amino-4-bromobutanoic acid;hydrobromide
Basic Information
CAS
15159-65-6
Multi CAS
No
Molecular Formula
C4H9Br2NO2
Molecular Weight
262.930000
Exact Mass
262.897950
SMILES
C(CBr)[C@@H](C(=O)O)N.Br
InChI
InChI=1S/C4H8BrNO2.BrH/c5-2-1-3(6)4(7)8;/h3H,1-2,6H2,(H,7,8);1H/t3-;/m0./s1
InChIKey
JDLMXICGDYZOJH-DFWYDOINSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.34
TPSA
63.32
LogP / Solubility
WLOGP
0.76
MLOGP
0.68
XLogP3
0.76
Consensus LogP
0.73
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
