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CAS 27772-62-9 Ethyl 2-Formylpropionate molecular structure lightbox
CAS RN: 27772-62-9

Ethyl 2-Formylpropionate

  • Product code: SSC-128128
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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: ≥97%
  • 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 27772-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

27772-62-9 / ethyl 2-methyl-3-oxopropanoate

Standard CAS: 27772-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27772-62-9
Multi CAS
No
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
InChI
InChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h4-5H,3H2,1-2H3
InChIKey
VVCYNVCCODBCOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
31.86
TPSA
43.37

LogP / Solubility

WLOGP
0.38
MLOGP
0.33
XLogP3
0.7
Consensus LogP
0.47
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.19
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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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