CAS RN: 1155878-14-0
H-N-Me-D-Ala-OH.HCl
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.20250402 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1155878-14-0
- Purity/Analytical Methods: >99.0%
1155878-14-0 / (2R)-2-(methylamino)propanoic acid;hydrochloride
2-(methylamino)propanoic acid hydrochloride | 2-(methylamino)propanoic acid;hydrochloride | N-Me-DL-Ala-OH.HCl
Basic Information
CAS
1155878-14-0
Multi CAS
Yes
Molecular Formula
C4H10ClNO2
Molecular Weight
139.580000
Exact Mass
139.040006
SMILES
C[C@H](C(=O)O)NC.Cl
InChI
InChI=1S/C4H9NO2.ClH/c1-3(5-2)4(6)7;/h3,5H,1-2H3,(H,6,7);1H/t3-;/m1./s1
InChIKey
QYXBNPBZWXNBGN-AENDTGMFSA-N
Synonyms
2-(methylamino)propanoic acid hydrochloride
2-(methylamino)propanoic acid;hydrochloride
N-Me-DL-Ala-OH.HCl
N-Methyl-DL-alanine hydrochloride
n-methylalanine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.41
TPSA
49.33
LogP / Solubility
WLOGP
0.1
MLOGP
0.08
XLogP3
0.1
Consensus LogP
0.09
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very 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)
-3.5
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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