1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl-
TL;DR: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl- (CAS 124392-61-6) is a chemical compound with molecular formula C18H15ClO2 and molecular weight 298.07605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-4-[(4-chlorophenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-one
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl-, 3,4-Dihydro-4-((4-chlorophenyl)methylene)-7-methyl-1-benzoxepin-5(2H)-one, (4Z)-4-[(4-chlorophenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-one, BRN 4488434
Technical Specifications
| Molecular Formula | C18H15ClO2 |
| Molecular Weight | 298.07605 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.07605 Da |
| Heavy Atoms | 21 |
| Complexity | 409.0 |
| SMILES | CC1=CC2=C(C=C1)OCC/C(=C/C3=CC=C(C=C3)Cl)/C2=O |
| InChIKey | WTIJUSBIUGAQIQ-KAMYIIQDSA-N |
Chemical Property Profile of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl-
Property Insights of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl-
The XLogP value of 4.8 indicates that 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl- 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 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl-?
The CAS number of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl- is 124392-61-6.
What is the molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl-?
The molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl- is C18H15ClO2.
What is the molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl-?
The molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl- is 298.07605 g/mol.
Where can I buy 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl-?
You can request a quote for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl-?
Yes, CoreyChem provides custom synthesis services for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.