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CAS 1069-39-2 N-ACETYL-L-ASPARTIC ACID DIETHYL ESTER molecular structure lightbox
CAS RN: 1069-39-2

N-ACETYL-L-ASPARTIC ACID DIETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-008391
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1069-39-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1069-39-2 / diethyl (2S)-2-acetamidobutanedioate

Diethyl 2-acetamidosuccinate | SCHEMBL468759 | Diethyl 2-(acetylamino)succinate #

Standard CAS: 1069-39-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1069-39-2
Multi CAS
Yes
Molecular Formula
C10H17NO5
Molecular Weight
231.250000
Exact Mass
231.110673
SMILES
CCOC(=O)C[C@@H](C(=O)OCC)NC(=O)C
InChI
InChI=1S/C10H17NO5/c1-4-15-9(13)6-8(11-7(3)12)10(14)16-5-2/h8H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKey
XQGDGRNHLJLQOV-QMMMGPOBSA-N
Synonyms
Diethyl 2-acetamidosuccinate SCHEMBL468759 Diethyl 2-(acetylamino)succinate #

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.49
TPSA
81.7

LogP / Solubility

WLOGP
0.01
MLOGP
0.01
XLogP3
0.1
Consensus LogP
0.04
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-4.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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