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CAS 294857-29-7 2,4-Furandimethanol molecular structure lightbox
CAS RN: 294857-29-7

2,4-Furandimethanol

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Batchno.20250603 1g In stock Shanghai Inquiry
  • Product code: starshine_CAS294857-29-7
  • Purity/Analytical Methods: >99.0%
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294857-29-7 / [5-(hydroxymethyl)furan-2-yl]methanol

Standard CAS: 294857-29-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
294857-29-7
Multi CAS
Yes
Molecular Formula
C6H8O3
Molecular Weight
128.130000
Exact Mass
128.047344
InChI
InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2
InChIKey
DSLRVRBSNLHVBH-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
30.55
TPSA
53.6

LogP / Solubility

WLOGP
0.26
MLOGP
0.22
XLogP3
-0.7
Consensus LogP
-0.07
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.31

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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