![7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one structure](/static/products/1035/103501-83-3.webp)
7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one
TL;DR: 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one (CAS 103501-83-3) is a chemical compound with molecular formula C11H11ClO2 and molecular weight 210.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-9-methyl-3,4-dihydro-2H-1-benzoxepin-5-one
Also Known As: 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one, 7-chloro-9-methyl-3,4-dihydro-2H-1-benzoxepin-5-one, 7-chloro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one, 7-chloro-9-methyl-2H,3H,4H-benzo[f]oxepin-5-one, 1-Benzoxepin-5(2H)-one,7-chloro-3,4-dihydro-9-methyl-
Technical Specifications
| Molecular Formula | C11H11ClO2 |
| Molecular Weight | 210.04475 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.04475 Da |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
| SMILES | CC1=CC(=CC2=C1OCCCC2=O)Cl |
| InChIKey | BXQCAAAJCZAMKV-UHFFFAOYSA-N |
Chemical Property Profile of 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one
Property Insights of 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one?
The CAS number of 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one is 103501-83-3.
What is the molecular formula of 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one?
The molecular formula of 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one is C11H11ClO2.
What is the molecular weight of 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one?
The molecular weight of 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one is 210.04475 g/mol.
Where can I buy 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one?
You can request a quote for 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one?
Yes, CoreyChem provides custom synthesis services for 7-Chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.