CAS RN: 332064-87-6
(R)-3-AMINO-5-HEXYNOIC 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.20260112 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS332064-87-6
- Purity/Analytical Methods: >99.0%
332064-87-6 / (3R)-3-aminohex-5-ynoic acid;hydrochloride
Basic Information
CAS
332064-87-6
Multi CAS
Yes
Molecular Formula
C6H10CLNO2
Molecular Weight
163.600000
Exact Mass
163.040006
InChI
InChI=1S/C6H9NO2.ClH/c1-2-3-5(7)4-6(8)9;/h1,5H,3-4,7H2,(H,8,9);1H/t5-;/m1./s1
InChIKey
FVKOZZHCHSRKJA-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.93
TPSA
63.32
LogP / Solubility
WLOGP
0.23
MLOGP
0.2
XLogP3
0.23
Consensus LogP
0.22
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-3.55
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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