![N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide structure](/static/products/314/314039-71-9.png)
N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
TL;DR: N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide (CAS 314039-71-9) is a chemical compound with molecular formula C25H19N5O4 and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
Also Known As: N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide, N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide, N-[amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
| Molecular Formula | C25H19N5O4 |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 2.7977 |
| Topological Polar Surface Area | 130.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.1437 |
| Heavy Atoms | 34 |
| Complexity | 1375.9904 |
Chemical Identifiers
| CAS Number | 314039-71-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)N/C(=N/C2=NC3=CC=CC=C3O2)/N)N4C(=O)C5=CC=CC=C5C4=O |
Product Overview
N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide (CAS 314039-71-9), with molecular formula C25H19N5O4 and molecular weight 453.14 g/mol. IUPAC: N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.
Chemical Property Profile of N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
Property Insights of N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
The XLogP value of 2.7977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide. The TPSA of 130.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide. Following Lipinski's Rule of Five, N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide?
The CAS number of N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide is 314039-71-9.
What is the molecular formula of N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide?
The molecular formula of N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide is C25H19N5O4.
What is the molecular weight of N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide?
The molecular weight of N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide is 453.14 g/mol.
Where can I buy N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide?
You can request a quote for N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1E)-amino(1,3-benzoxazol-2-ylamino)methylene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.