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CAS 22414-24-0 2,5-DIMETHOXY-2-METHYL-2,5-DIHYDROFURAN molecular structure lightbox
CAS RN: 22414-24-0

2,5-DIMETHOXY-2-METHYL-2,5-DIHYDROFURAN

  • Product code: SSC-109247
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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 22414-24-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

22414-24-0 / 2,5-dimethoxy-5-methyl-2H-furan

Standard CAS: 22414-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22414-24-0
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
SMILES
CC1(C=CC(O1)OC)OC
InChI
InChI=1S/C7H12O3/c1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3
InChIKey
ODARVONGEVVSAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
36.44
TPSA
27.69

LogP / Solubility

WLOGP
0.91
MLOGP
0.79
XLogP3
0.5
Consensus LogP
0.73
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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