1-Benzoxepin-3,5(2H,4H)-dione
TL;DR: 1-Benzoxepin-3,5(2H,4H)-dione (CAS 62557-53-3) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoxepine-3,5-dione
Also Known As: 1-Benzoxepin-3,5(2H,4H)-dione, 1-benzoxepine-3,5-dione, 2,3,4,5-tetrahydro-1-benzoxepine-3,5-dione, 1-benzoxepin-3,5 -dione, EINECS 263-595-8
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 62557-53-3 |
|---|---|
| SMILES | C1C(=O)COC2=CC=CC=C2C1=O |
| InChIKey | VXHBBPNYWKGNHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzoxepin-3,5(2H,4H)-dione (CAS 62557-53-3), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 1-benzoxepine-3,5-dione.
Chemical Property Profile of 1-Benzoxepin-3,5(2H,4H)-dione
Property Insights of 1-Benzoxepin-3,5(2H,4H)-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoxepin-3,5(2H,4H)-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Benzoxepin-3,5(2H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoxepin-3,5(2H,4H)-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 1-Benzoxepin-3,5(2H,4H)-dione?
The CAS number of 1-Benzoxepin-3,5(2H,4H)-dione is 62557-53-3.
What is the molecular formula of 1-Benzoxepin-3,5(2H,4H)-dione?
The molecular formula of 1-Benzoxepin-3,5(2H,4H)-dione is C10H8O3.
What is the molecular weight of 1-Benzoxepin-3,5(2H,4H)-dione?
The molecular weight of 1-Benzoxepin-3,5(2H,4H)-dione is 176.05 g/mol.
Where can I buy 1-Benzoxepin-3,5(2H,4H)-dione?
You can request a quote for 1-Benzoxepin-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-Benzoxepin-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoxepin-3,5(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.