![4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione structure](/static/products/2592/259269-45-9.webp)
4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione
TL;DR: 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione (CAS 259269-45-9) is a chemical compound with molecular formula C12H7NO3 and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione
Also Known As: 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione, pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione, 4H,6H-Benzo[e]pyrrolo[2,1-c][1,4]oxazepine-4,6-dione, 8-oxa-2-azatricyclo[8.4.0.0?,?]tetradeca-1(14),3,5,10,12-pentaene-7,9-dione, 8-oxa-2-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-7,9-dione
| Molecular Formula | C12H7NO3 |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 1.4059 |
| Topological Polar Surface Area | 51.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.04259 |
| Heavy Atoms | 16 |
| Complexity | 798.31775 |
Chemical Identifiers
| CAS Number | 259269-45-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=O)C3=CC=CN23 |
Product Overview
4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione (CAS 259269-45-9), with molecular formula C12H7NO3 and molecular weight 213.04 g/mol. IUPAC: pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione.
Chemical Property Profile of 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione
Property Insights of 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione
The XLogP value of 1.4059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione. With a topological polar surface area (TPSA) of 51.69 Ų, 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione has 0 hydrogen bond donor(s) and 3 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 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione?
The CAS number of 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione is 259269-45-9.
What is the molecular formula of 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione?
The molecular formula of 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione is C12H7NO3.
What is the molecular weight of 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione?
The molecular weight of 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione is 213.04 g/mol.
Where can I buy 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione?
You can request a quote for 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.