CAS RN: 74441-06-8
p-Aminobenzoyl benzamide
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS74441-06-8
- Purity/Analytical Methods: >99.0%
74441-06-8 / 4-amino-N-(4-carbamoylphenyl)benzamide
Basic Information
CAS
74441-06-8
Multi CAS
Yes
Molecular Formula
C14H13N3O2
Molecular Weight
255.270000
Exact Mass
255.100777
InChI
InChI=1S/C14H13N3O2/c15-11-5-1-10(2-6-11)14(19)17-12-7-3-9(4-8-12)13(16)18/h1-8H,15H2,(H2,16,18)(H,17,19)
InChIKey
FSPYMSUDIVFOHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
73.77
TPSA
98.21
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
0.8
Consensus LogP
1.28
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
ethyl 5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylate
- CAS RN: 74443-00-8
- Product Code: starshine_CAS74443-00-8
- Purity/Analytical method: >99.0%
-
-
-
-
-
