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CAS 1183267-12-0 Methyl 4-(2-Ethoxy-2-oxoethylaMino)butanoate molecular structure lightbox
CAS RN: 1183267-12-0

Methyl 4-(2-Ethoxy-2-oxoethylaMino)butanoate

  • Product code: SSC-018108
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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: 5g
  • 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 1183267-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1183267-12-0 / methyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate

Methyl 4-(2-Ethoxy-2-oxoethylamino)butanoate | methyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate | MFCD12148722

Standard CAS: 1183267-12-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1183267-12-0
Multi CAS
No
Molecular Formula
C9H17NO4
Molecular Weight
203.240000
Exact Mass
203.115758
SMILES
CCOC(=O)CNCCCC(=O)OC
InChI
InChI=1S/C9H17NO4/c1-3-14-9(12)7-10-6-4-5-8(11)13-2/h10H,3-7H2,1-2H3
InChIKey
TYEJPUUJHIXMFO-UHFFFAOYSA-N
Synonyms
Methyl 4-(2-Ethoxy-2-oxoethylamino)butanoate methyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate MFCD12148722 Methyl 4-((2-ethoxy-2-oxoethyl)amino)butanoate Methyl4-(2-Ethoxy-2-oxoethylamino)butanoate

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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