1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-
TL;DR: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl- (CAS 124392-65-0) is a chemical compound with molecular formula C19H17ClO2 and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(4-chlorophenyl)methylidene]-7,8-dimethyl-2,3-dihydro-1-benzoxepin-5-one
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-, 3,4-Dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-1-benzoxepin-5(2H)-one, (4Z)-4-[(4-chlorophenyl)methylidene]-7,8-dimethyl-2,3-dihydro-1-benzoxepin-5-one, RefChem:1054917, BRN 4492086
| Molecular Formula | C19H17ClO2 |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 5.00564 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.0917 |
| Heavy Atoms | 22 |
| Complexity | 757.7498 |
Chemical Identifiers
| CAS Number | 124392-65-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OCC/C(=C/C3=CC=C(C=C3)Cl)/C2=O |
Product Overview
1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl- (CAS 124392-65-0), with molecular formula C19H17ClO2 and molecular weight 312.09 g/mol. IUPAC: (4Z)-4-[(4-chlorophenyl)methylidene]-7,8-dimethyl-2,3-dihydro-1-benzoxepin-5-one.
Chemical Property Profile of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-
Property Insights of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-
The XLogP value of 5.00564 indicates that 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl- 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)-7,8-dimethyl- 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)-7,8-dimethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-?
The CAS number of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl- is 124392-65-0.
What is the molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-?
The molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl- is C19H17ClO2.
What is the molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-?
The molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl- is 312.09 g/mol.
Where can I buy 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-?
You can request a quote for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl- 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-chlorophenyl)methylene)-7,8-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.