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CAS 57500-47-7 2-Furancarboxaldehyde, 4-chloro- molecular structure lightbox
CAS RN: 57500-47-7

2-Furancarboxaldehyde, 4-chloro-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS57500-47-7
  • Purity/Analytical Methods: >99.0%
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57500-47-7 / 4-chlorofuran-2-carbaldehyde

Standard CAS: 57500-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57500-47-7
Multi CAS
No
Molecular Formula
C5H3CLO2
Molecular Weight
130.530000
Exact Mass
129.982157
InChI
InChI=1S/C5H3ClO2/c6-4-1-5(2-7)8-3-4/h1-3H
InChIKey
LTVJHHMBKSDNBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
29.11
TPSA
30.21

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
1.4
Consensus LogP
1.56
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.28

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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