CAS RN: 3783-61-7
N-(2-ETHOXY-2-OXOETHYL)-BETA-ALANINE ETHYL ESTER
- Product code: SSC-145278
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
3783-61-7 / ethyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate
Basic Information
CAS
3783-61-7
Multi CAS
Yes
Molecular Formula
C9H17NO4
Molecular Weight
203.240000
Exact Mass
203.115758
InChI
InChI=1S/C9H17NO4/c1-3-13-8(11)5-6-10-7-9(12)14-4-2/h10H,3-7H2,1-2H3
InChIKey
JHFQLFGNGSHVGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.75
TPSA
64.63
LogP / Solubility
WLOGP
0.09
MLOGP
0.08
XLogP3
0.3
Consensus LogP
0.16
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.89
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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- CAS RN: 3785-24-8
- Product Code: SSC-145296
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