CAS RN: 71067-42-0
H-ALA-PRO-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.20260317 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS71067-42-0
- Purity/Analytical Methods: >99.0%
71067-42-0 / methyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate;hydrochloride
Basic Information
CAS
71067-42-0
Multi CAS
Yes
Molecular Formula
C9H17CLN2O3
Molecular Weight
236.690000
Exact Mass
236.092770
InChI
InChI=1S/C9H16N2O3.ClH/c1-6(10)8(12)11-5-3-4-7(11)9(13)14-2;/h6-7H,3-5,10H2,1-2H3;1H/t6-,7-;/m0./s1
InChIKey
CMYOTVRZLLXNSY-LEUCUCNGSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.65
TPSA
72.63
LogP / Solubility
WLOGP
-0.08
MLOGP
-0.07
XLogP3
-0.08
Consensus LogP
-0.08
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-4.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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