CAS RN: 105328-90-3
H-D-ALA-D-ALA-OME 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.20250806 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS105328-90-3
- Purity/Analytical Methods: >99.0%
105328-90-3 / methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride
METHYL 2-(2-AMINOPROPANAMIDO)PROPANOATE HYDROCHLORIDE | C7H15ClN2O3 | Ala-Ala-OMe.HCl
Basic Information
CAS
105328-90-3
Multi CAS
Yes
Molecular Formula
C7H15ClN2O3
Molecular Weight
210.660000
Exact Mass
210.077120
SMILES
C[C@H](C(=O)N[C@H](C)C(=O)OC)N.Cl
InChI
InChI=1S/C7H14N2O3.ClH/c1-4(8)6(10)9-5(2)7(11)12-3;/h4-5H,8H2,1-3H3,(H,9,10);1H/t4-,5-;/m1./s1
InChIKey
WVSVBOMWSCRPGM-TYSVMGFPSA-N
Synonyms
METHYL 2-(2-AMINOPROPANAMIDO)PROPANOATE HYDROCHLORIDE
C7H15ClN2O3
Ala-Ala-OMe.HCl
SCHEMBL3883125
EN300-295854
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.52
TPSA
81.42
LogP / Solubility
WLOGP
-0.57
MLOGP
-0.5
XLogP3
-0.57
Consensus LogP
-0.55
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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 (100%): 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
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