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CAS 874-66-8 2-METHYL-3-(2-FURYL)PROPENAL molecular structure lightbox
CAS RN: 874-66-8

2-METHYL-3-(2-FURYL)PROPENAL

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260531 10g In stock Shanghai, Guangdong Inquiry
Batchno.20250406 250g Out of stock 15 business days Inquiry
Batchno.20251220 50g In stock Shanghai Inquiry
  • Product code: starshine_CAS874-66-8
  • Purity/Analytical Methods: >99.0%
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874-66-8 / 3-(furan-2-yl)-2-methylprop-2-enal

Standard CAS: 874-66-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874-66-8
Multi CAS
Yes
Molecular Formula
C8H8O2
Molecular Weight
136.150000
Exact Mass
136.052429
InChI
InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3
InChIKey
ZNBXZUKDRRRQJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.42
TPSA
30.21

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.6
Consensus LogP
1.71
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.21

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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