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CAS 4383-51-1 Ethyl 2-(2-Chlorophenyl)-2-Cyanoacetate molecular structure lightbox
CAS RN: 4383-51-1

Ethyl 2-(2-Chlorophenyl)-2-Cyanoacetate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4383-51-1
  • Purity/Analytical Methods: >99.0%
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4383-51-1 / ethyl 2-(2-chlorophenyl)-2-cyanoacetate

Standard CAS: 4383-51-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4383-51-1
Multi CAS
Yes
Molecular Formula
C11H10CLNO2
Molecular Weight
223.650000
Exact Mass
223.040006
InChI
InChI=1S/C11H10ClNO2/c1-2-15-11(14)9(7-13)8-5-3-4-6-10(8)12/h3-6,9H,2H2,1H3
InChIKey
RASKCCDHQWXWHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
56.44
TPSA
50.09

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.7
Consensus LogP
2.47
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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