8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione
TL;DR: 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione (CAS 63525-26-8) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-1-methyl-10-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8,11-dione
Also Known As: 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione, 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 8-methoxy-1-methyl-, 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione,8-methoxy-1-methyl
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 63525-26-8 |
|---|---|
| SMILES | CC12CC(C(=O)C3=C1C=C(C=C3)OC)OC2=O |
| InChIKey | CGVUMUYBDVNKHY-UHFFFAOYSA-N |
Product Overview
8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione (CAS 63525-26-8), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: 4-methoxy-1-methyl-10-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8,11-dione.
Chemical Property Profile of 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione
Property Insights of 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione has 0 hydrogen bond donor(s) and 4 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 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione?
The CAS number of 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione is 63525-26-8.
What is the molecular formula of 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione?
The molecular formula of 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione is C13H12O4.
What is the molecular weight of 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione?
The molecular weight of 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione is 232.07 g/mol.
Where can I buy 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione?
You can request a quote for 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Methoxy-1-methyl-1,4-methano-3-benzoxepine-2,5(1H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.