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CAS 35461-93-9 2-(3-Methoxy phenyl)furan molecular structure lightbox
CAS RN: 35461-93-9

2-(3-Methoxy phenyl)furan

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 25mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35461-93-9
  • Purity/Analytical Methods: >99.0%
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35461-93-9 / 2-(3-methoxyphenyl)furan

Standard CAS: 35461-93-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35461-93-9
Multi CAS
No
Molecular Formula
C11H10O2
Molecular Weight
174.200000
Exact Mass
174.068080
InChI
InChI=1S/C11H10O2/c1-12-10-5-2-4-9(8-10)11-6-3-7-13-11/h2-8H,1H3
InChIKey
PAUCRMQZRWUPMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.7
TPSA
22.37

LogP / Solubility

WLOGP
2.96
MLOGP
2.6
XLogP3
2.6
Consensus LogP
2.72
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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