RefChem:1054919
TL;DR: RefChem:1054919 (CAS 124392-68-3) is a chemical compound with molecular formula C21H22O3 and molecular weight 322.1569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-4-[(4-methoxyphenyl)methylidene]-6,8,9-trimethyl-2,3-dihydro-1-benzoxepin-5-one
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-6,8,9-trimethyl-, 3,4-Dihydro-4-((4-methoxyphenyl)methylene)-6,8,9-trimethyl-1-benzoxepin-5(2H)-one, (4Z)-4-[(4-methoxyphenyl)methylidene]-6,8,9-trimethyl-2,3-dihydro-1-benzoxepin-5-one, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-6,8 ,9-trimethyl-, BRN 4519397
Technical Specifications
| Molecular Formula | C21H22O3 |
| Molecular Weight | 322.1569 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.1569 Da |
| Heavy Atoms | 24 |
| Complexity | 475.0 |
| SMILES | CC1=CC(=C2C(=C1C)OCC/C(=C/C3=CC=C(C=C3)OC)/C2=O)C |
| InChIKey | TUPADJLQVBXVPH-ATVHPVEESA-N |
Chemical Property Profile of RefChem:1054919
Property Insights of RefChem:1054919
The XLogP value of 4.9 indicates that RefChem:1054919 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, RefChem:1054919 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054919 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
What is the CAS number of RefChem:1054919?
The CAS number of RefChem:1054919 is 124392-68-3.
What is the molecular formula of RefChem:1054919?
The molecular formula of RefChem:1054919 is C21H22O3.
What is the molecular weight of RefChem:1054919?
The molecular weight of RefChem:1054919 is 322.1569 g/mol.
Where can I buy RefChem:1054919?
You can request a quote for RefChem:1054919 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1054919?
Yes, CoreyChem provides custom synthesis services for RefChem:1054919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.