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CAS 356570-11-1 5-(2-Chlorophenyl)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 356570-11-1

5-(2-Chlorophenyl)thiophene-2-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: LINC913748
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356570-11-1 / 5-(2-chlorophenyl)thiophene-2-carbaldehyde

Standard CAS: 356570-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
356570-11-1
Multi CAS
No
Molecular Formula
C11H7CLOS
Molecular Weight
222.690000
Exact Mass
221.990614
InChI
InChI=1S/C11H7ClOS/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H
InChIKey
LOEKFPAEXOYFGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.15
TPSA
17.07

LogP / Solubility

WLOGP
3.88
MLOGP
3.42
XLogP3
3.7
Consensus LogP
3.67
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.32

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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