CAS RN: 102029-80-1
H-ALA-NH2 HBR
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250221 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS102029-80-1
- Purity/Analytical Methods: >99.0%
102029-80-1 / (2S)-2-aminopropanamide;hydrobromide
DTXSID20595327 | L-Alaninamide--hydrogen bromide (1/1) | RefChem:350554
Basic Information
CAS
102029-80-1
Multi CAS
Yes
Molecular Formula
C3H9BrN2O
Molecular Weight
169.020000
Exact Mass
167.989830
SMILES
C[C@@H](C(=O)N)N.Br
InChI
InChI=1S/C3H8N2O.BrH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H2,5,6);1H/t2-;/m0./s1
InChIKey
BYAVGTZKLGIZPY-DKWTVANSSA-N
Synonyms
DTXSID20595327
L-Alaninamide--hydrogen bromide (1/1)
RefChem:350554
DTXCID60546090
(S)-2-Aminopropanamide hydrobromide
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.17
TPSA
69.11
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.53
XLogP3
-0.6
Consensus LogP
-0.58
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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