CAS RN: 29834-76-2
(S)-2-Amino-4-hexynoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250505 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS29834-76-2
- Purity/Analytical Methods: >99.0%
29834-76-2 / 2-aminohex-4-ynoic acid
Basic Information
CAS
29834-76-2
Multi CAS
Yes
Molecular Formula
C6H9NO2
Molecular Weight
127.140000
Exact Mass
127.063329
InChI
InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h5H,4,7H2,1H3,(H,8,9)
InChIKey
VDWGCMRALYSYJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.68
TPSA
63.32
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.17
XLogP3
-2.3
Consensus LogP
-0.89
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
Class (SILICOS-IT)
Very 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)
-3.63
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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![CAS 29836-27-9 1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α,7α-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/29836-27-9.gif)
