1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-
TL;DR: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl- (CAS 56071-25-1) is a chemical compound with molecular formula C19H18O3 and molecular weight 294.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-one
Also Known As: 5-18-02-00343 (Beilstein Handbook Reference), 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-, 4-(p-Methoxybenzylidine)-7-methyl-3,4-dihydro-1(2H)-benzoxepin-5-one, 4-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benz, 4-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-one
| Molecular Formula | C19H18O3 |
|---|---|
| Molecular Weight | 294.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.12558 |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 56071-25-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCCC(=CC3=CC=C(C=C3)OC)C2=O |
| InChIKey | IKYXQDNXJYSFSA-UHFFFAOYSA-N |
Product Overview
1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl- (CAS 56071-25-1), with molecular formula C19H18O3 and molecular weight 294.13 g/mol. IUPAC: 4-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-one.
Chemical Property Profile of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-
Property Insights of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-
The XLogP value of 4.1 indicates that 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)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-methoxyphenyl)methylene)-7-methyl- 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-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-?
The CAS number of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl- is 56071-25-1.
What is the molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-?
The molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl- is C19H18O3.
What is the molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-?
The molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl- is 294.13 g/mol.
Where can I buy 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-?
You can request a quote for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.