1,4-benzoxazepine-3,5(2H,4H)-dione
TL;DR: 1,4-benzoxazepine-3,5(2H,4H)-dione (CAS 14151-88-3) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-benzoxazepine-3,5-dione
Also Known As: 1,4-benzoxazepine-3,5(2H,4H)-dione, Benzo[f][1,4]oxazepine-3,5-dione, 1,4-benzoxazepine-3,5-dione, Maybridge1_002198, 2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 14151-88-3 |
|---|---|
| SMILES | C1C(=O)NC(=O)C2=CC=CC=C2O1 |
| InChIKey | LASIQOVJNPVKJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-benzoxazepine-3,5(2H,4H)-dione (CAS 14151-88-3), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 1,4-benzoxazepine-3,5-dione.
Chemical Property Profile of 1,4-benzoxazepine-3,5(2H,4H)-dione
Property Insights of 1,4-benzoxazepine-3,5(2H,4H)-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-benzoxazepine-3,5(2H,4H)-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 1,4-benzoxazepine-3,5(2H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-benzoxazepine-3,5(2H,4H)-dione has 1 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 1,4-benzoxazepine-3,5(2H,4H)-dione?
The CAS number of 1,4-benzoxazepine-3,5(2H,4H)-dione is 14151-88-3.
What is the molecular formula of 1,4-benzoxazepine-3,5(2H,4H)-dione?
The molecular formula of 1,4-benzoxazepine-3,5(2H,4H)-dione is C9H7NO3.
What is the molecular weight of 1,4-benzoxazepine-3,5(2H,4H)-dione?
The molecular weight of 1,4-benzoxazepine-3,5(2H,4H)-dione is 177.04 g/mol.
Where can I buy 1,4-benzoxazepine-3,5(2H,4H)-dione?
You can request a quote for 1,4-benzoxazepine-3,5(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-benzoxazepine-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,4-benzoxazepine-3,5(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.