CAS RN: 440644-06-4
Methyl 3-amino-2-(aminomethyl)propanoate dihydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-152119
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
440644-06-4 / methyl 3-amino-2-(aminomethyl)propanoate;dihydrochloride
Basic Information
CAS
440644-06-4
Multi CAS
No
Molecular Formula
C5H14CL2N2O2
Molecular Weight
205.080000
Exact Mass
204.043233
InChI
InChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4(2-6)3-7;;/h4H,2-3,6-7H2,1H3;2*1H
InChIKey
HMNGKCBLTQUNTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.11
TPSA
78.34
LogP / Solubility
WLOGP
-0.46
MLOGP
-0.41
XLogP3
-0.46
Consensus LogP
-0.44
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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