[email protected]
CAS 20902-48-1 N-(ETHOXYOXOACETYL)-L-ALANINE ETHYL ESTER molecular structure lightbox
CAS RN: 20902-48-1

N-(ETHOXYOXOACETYL)-L-ALANINE ETHYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260131 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS20902-48-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

20902-48-1 / ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]propanoate

Standard CAS: 20902-48-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20902-48-1
Multi CAS
No
Molecular Formula
C9H15NO5
Molecular Weight
217.220000
Exact Mass
217.095023
SMILES
CCOC(=O)[C@H](C)NC(=O)C(=O)OCC
InChI
InChI=1S/C9H15NO5/c1-4-14-8(12)6(3)10-7(11)9(13)15-5-2/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKey
WBQQDEUSGHGJMH-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.87
TPSA
81.7

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.33
XLogP3
0.9
Consensus LogP
0.06
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.32

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
2

Customers Also Viewed

Get In Touch

Contact Us