CAS RN: 108412-04-0
D-2-Allylglycine Hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-009758
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
108412-04-0 / (2R)-2-aminopent-4-enoic acid;hydrochloride
D-2-Allylglycine Hydrochloride | RefChem:581498 | 677-093-5
Basic Information
CAS
108412-04-0
Multi CAS
Yes
Molecular Formula
C5H10ClNO2
Molecular Weight
151.590000
Exact Mass
151.040006
SMILES
C=CC[C@H](C(=O)O)N.Cl
InChI
InChI=1S/C5H9NO2.ClH/c1-2-3-4(6)5(7)8;/h2,4H,1,3,6H2,(H,7,8);1H/t4-;/m1./s1
InChIKey
DIDZZOWASZMNQW-PGMHMLKASA-N
Synonyms
D-2-Allylglycine Hydrochloride
RefChem:581498
677-093-5
(R)-2-Aminopent-4-enoic acid hydrochloride
D-Allylglycine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.67
TPSA
63.32
LogP / Solubility
WLOGP
0.4
MLOGP
0.34
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.36
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
