CAS RN: 332064-77-4
(S)-3-AMino-5-hexenoic acid-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.20250317 | 25mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS332064-77-4
- Purity/Analytical Methods: >99.0%
332064-77-4 / (3S)-3-aminohex-5-enoic acid;hydrochloride
Basic Information
CAS
332064-77-4
Multi CAS
Yes
Molecular Formula
C6H12CLNO2
Molecular Weight
165.620000
Exact Mass
165.055656
InChI
InChI=1S/C6H11NO2.ClH/c1-2-3-5(7)4-6(8)9;/h2,5H,1,3-4,7H2,(H,8,9);1H/t5-;/m0./s1
InChIKey
JFPGGODHJJCONI-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.29
TPSA
63.32
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.79
Consensus LogP
0.76
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.17
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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