CAS RN: 5504-72-3
2-AMINO-N-(2-BENZOYL-4-CHLOROPHENYL)ACETAMIDE HCL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251130 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5504-72-3
- Purity/Analytical Methods: >99.0%
5504-72-3 / 2-amino-N-(2-benzoyl-4-chlorophenyl)acetamide;hydrochloride
Basic Information
CAS
5504-72-3
Multi CAS
Yes
Molecular Formula
C15H14CL2N2O2
Molecular Weight
325.200000
Exact Mass
324.043233
InChI
InChI=1S/C15H13ClN2O2.ClH/c16-11-6-7-13(18-14(19)9-17)12(8-11)15(20)10-4-2-1-3-5-10;/h1-8H,9,17H2,(H,18,19);1H
InChIKey
KOHSAYNPKCTZOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
86.26
TPSA
72.19
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
2.89
Consensus LogP
2.78
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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