CAS RN: 217440-34-1
(R)-Methyl-2-AMino-4-pentenoate Hydrochloride
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.20250322 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS217440-34-1
- Purity/Analytical Methods: >99.0%
217440-34-1 / methyl (2R)-2-aminopent-4-enoate;hydrochloride
Basic Information
CAS
217440-34-1
Multi CAS
No
Molecular Formula
C6H12ClNO2
Molecular Weight
165.620000
Exact Mass
165.055656
SMILES
COC(=O)[C@@H](CC=C)N.Cl
InChI
InChI=1S/C6H11NO2.ClH/c1-3-4-5(7)6(8)9-2;/h3,5H,1,4,7H2,2H3;1H/t5-;/m1./s1
InChIKey
WHHNAMFLUXPVNV-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.05
TPSA
52.32
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
0.48
Consensus LogP
0.46
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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