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CAS 81661-26-9 METHYL 5-FORMYL-2-METHYL-3-FUROATE molecular structure lightbox
CAS RN: 81661-26-9

METHYL 5-FORMYL-2-METHYL-3-FUROATE

  • Product code: SSC-190047
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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 81661-26-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

81661-26-9 / methyl 5-formyl-2-methylfuran-3-carboxylate

Standard CAS: 81661-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81661-26-9
Multi CAS
No
Molecular Formula
C8H8O4
Molecular Weight
168.150000
Exact Mass
168.042259
InChI
InChI=1S/C8H8O4/c1-5-7(8(10)11-2)3-6(4-9)12-5/h3-4H,1-2H3
InChIKey
WINMHOHYPKKTEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
40.17
TPSA
56.51

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
1
Consensus LogP
1.08
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.9

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
1.5

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