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CAS 34035-04-6 5-(2-Chlorophenyl)furan-2-carbaldehyde molecular structure lightbox
CAS RN: 34035-04-6

5-(2-Chlorophenyl)furan-2-carbaldehyde

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 100mg In stock Shanghai Inquiry
Batchno.20260504 10g Out of stock Inquiry
Batchno.20251116 1g In stock Shanghai Inquiry
Batchno.20260301 250mg In stock Shanghai Inquiry
Batchno.20260504 5g In stock Shanghai Inquiry
  • Product code: LINC913579
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34035-04-6 / 5-(2-chlorophenyl)furan-2-carbaldehyde

Standard CAS: 34035-04-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34035-04-6
Multi CAS
No
Molecular Formula
C11H7CLO2
Molecular Weight
206.620000
Exact Mass
206.013457
InChI
InChI=1S/C11H7ClO2/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H
InChIKey
ONQOZTFAOFZDFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.54
TPSA
30.21

LogP / Solubility

WLOGP
3.41
MLOGP
3
XLogP3
3.1
Consensus LogP
3.17
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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