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CAS 5608-13-9 4-(acetylamino)-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide molecular structure lightbox
CAS RN: 5608-13-9

4-(acetylamino)-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250907 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5608-13-9
  • Purity/Analytical Methods: >99.0%
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5608-13-9 / 4-acetamido-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

Standard CAS: 5608-13-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5608-13-9
Multi CAS
Yes
Molecular Formula
C16H24CLN3O3
Molecular Weight
341.830000
Exact Mass
341.150619
InChI
InChI=1S/C16H24ClN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)
InChIKey
CUDFIXBYMDJBQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.43
TPSA
70.67

LogP / Solubility

WLOGP
2.38
MLOGP
2.11
XLogP3
2.5
Consensus LogP
2.33
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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