CAS RN: 56419-89-7
N-Benzanilide-4,4′-dicarboxylic acid
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.20250705 | 100mg / 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56419-89-7
- Purity/Analytical Methods: >99.0%
56419-89-7 / 4-[(4-carboxyphenyl)carbamoyl]benzoic acid
Basic Information
CAS
56419-89-7
Multi CAS
No
Molecular Formula
C15H11NO5
Molecular Weight
285.250000
Exact Mass
285.063722
InChI
InChI=1S/C15H11NO5/c17-13(9-1-3-10(4-2-9)14(18)19)16-12-7-5-11(6-8-12)15(20)21/h1-8H,(H,16,17)(H,18,19)(H,20,21)
InChIKey
WPQIUQXWDUZDBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
74.76
TPSA
103.7
LogP / Solubility
WLOGP
2.34
MLOGP
2.07
XLogP3
1.7
Consensus LogP
2.04
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
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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