CAS RN: 2044705-61-3
(S)-3-aMinopentanoic acid 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.20250906 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2044705-61-3
- Purity/Analytical Methods: >99.0%
2044705-61-3 / (3S)-3-aminopentanoic acid;hydrochloride
Basic Information
CAS
2044705-61-3
Multi CAS
No
Molecular Formula
C5H12ClNO2
Molecular Weight
153.610000
Exact Mass
153.055656
SMILES
CC[C@@H](CC(=O)O)N.Cl
InChI
InChI=1S/C5H11NO2.ClH/c1-2-4(6)3-5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H/t4-;/m0./s1
InChIKey
FERWBHFUQDIXNF-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.77
TPSA
63.32
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
0.62
Consensus LogP
0.59
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.22
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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