CAS RN: 1020112-73-5
2-Amino-1,3-bis(carboxylethoxy)propane HCl salt
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.20260623 | 25mg / 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-003238
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1020112-73-5 / 3-[2-amino-3-(2-carboxyethoxy)propoxy]propanoic acid
2-Amino-1,3-bis(carboxylethoxy)propane | 2-Amino-1,3-bis(carboxylethoxy)propane HCl salt | 3-[2-amino-3-(2-carboxyethoxy)propoxy]propanoic acid
Basic Information
CAS
1020112-73-5
Multi CAS
Yes
Molecular Formula
C9H17NO6
Molecular Weight
235.230000
Exact Mass
235.105587
SMILES
C(COCC(COCCC(=O)O)N)C(=O)O
InChI
InChI=1S/C9H17NO6/c10-7(5-15-3-1-8(11)12)6-16-4-2-9(13)14/h7H,1-6,10H2,(H,11,12)(H,13,14)
InChIKey
HWQYUSUCQZDSSK-UHFFFAOYSA-N
Synonyms
2-Amino-1,3-bis(carboxylethoxy)propane
2-Amino-1,3-bis(carboxylethoxy)propane HCl salt
3-[2-amino-3-(2-carboxyethoxy)propoxy]propanoic acid
2-Amino-1,3-bis(carboxylethoxy)propane HCl
3,3'-((2-aminopropane-1,3-diyl)bis(oxy))dipropionic acid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.78
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
3
Molar refractivity
54.12
TPSA
119.08
LogP / Solubility
WLOGP
-0.7
MLOGP
-0.62
XLogP3
-4.2
Consensus LogP
-1.84
Log S (ESOL)
-0.2
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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