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CAS 32795-44-1 N-ACETYLPROCAINAMIDE molecular structure lightbox
CAS RN: 32795-44-1

N-ACETYLPROCAINAMIDE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260628 50mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS32795-44-1
  • Purity/Analytical Methods: >99.0%
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32795-44-1 / 4-acetamido-N-[2-(diethylamino)ethyl]benzamide

Standard CAS: 32795-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32795-44-1
Multi CAS
No
Molecular Formula
C15H23N3O2
Molecular Weight
277.360000
Exact Mass
277.179027
InChI
InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)
InChIKey
KEECCEWTUVWFCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.87
TPSA
61.44

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
0.7
Consensus LogP
1.31
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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