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CAS 36983-35-4 2-Furanbutanoic acid, α,γ-dioxo-, ethyl ester molecular structure lightbox
CAS RN: 36983-35-4

2-Furanbutanoic acid, α,γ-dioxo-, ethyl ester

  • Product code: SSC-144288
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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 36983-35-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

36983-35-4 / ethyl 4-(furan-2-yl)-2,4-dioxobutanoate

Standard CAS: 36983-35-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36983-35-4
Multi CAS
No
Molecular Formula
C10H10O5
Molecular Weight
210.180000
Exact Mass
210.052823
InChI
InChI=1S/C10H10O5/c1-2-14-10(13)8(12)6-7(11)9-4-3-5-15-9/h3-5H,2,6H2,1H3
InChIKey
VIOCWOOZQZAFOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
49.3
TPSA
73.58

LogP / Solubility

WLOGP
0.98
MLOGP
0.87
XLogP3
1.3
Consensus LogP
1.05
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-3.3

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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