![3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid structure](/static/products/903/903200-52-2.png)
3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid
TL;DR: 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid (CAS 903200-52-2) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid
Also Known As: 3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid, N-{[4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-yl]carbonyl}-beta-alanine, 3-(4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carboxamido)propanoic acid
| Molecular Formula | C21H22N4O4 |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 2.6725 |
| Topological Polar Surface Area | 94.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.1641 |
| Heavy Atoms | 29 |
| Complexity | 951.2022 |
Chemical Identifiers
| CAS Number | 903200-52-2 |
|---|---|
| SMILES | C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)NCCC(=O)O |
Product Overview
3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid (CAS 903200-52-2), with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol. IUPAC: 3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid.
Chemical Property Profile of 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid
Property Insights of 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid
The XLogP value of 2.6725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid. The TPSA of 94.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid. Following Lipinski's Rule of Five, 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid has 2 hydrogen bond donor(s) and 5 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 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid?
The CAS number of 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid is 903200-52-2.
What is the molecular formula of 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid?
The molecular formula of 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid is C21H22N4O4.
What is the molecular weight of 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid?
The molecular weight of 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid is 394.16 g/mol.
Where can I buy 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid?
You can request a quote for 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.