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CAS 7461-38-3 4-Chloro-N,N-diethylbenzaMide molecular structure lightbox
CAS RN: 7461-38-3

4-Chloro-N,N-diethylbenzaMide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7461-38-3
  • Purity/Analytical Methods: >99.0%
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7461-38-3 / 4-chloro-N,N-diethylbenzamide

Standard CAS: 7461-38-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7461-38-3
Multi CAS
Yes
Molecular Formula
C11H14CLNO
Molecular Weight
211.690000
Exact Mass
211.076392
InChI
InChI=1S/C11H14ClNO/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3
InChIKey
VQIFBGNOSBKNJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
58.7
TPSA
20.31

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
1.9
Consensus LogP
2.4
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.01

Drug-likeness / Medicinal Chemistry

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

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