![Benz[3,4]anthra[2,1-b]oxepin structure](/static/products/1321/132172-56-6.webp)
Benz[3,4]anthra[2,1-b]oxepin
TL;DR: Benz[3,4]anthra[2,1-b]oxepin (CAS 132172-56-6) is a chemical compound with molecular formula C22H14O and molecular weight 294.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-oxapentacyclo[13.8.0.02,7.08,14.017,22]tricosa-1(23),2,4,6,8(14),10,12,15,17,19,21-undecaene
Also Known As: Benz[3,4]anthra[2,1-b]oxepin, Tetrapheno[5,6-b]oxepine, Benz(3,4)anthra(2,1-b)oxepin, Benz(a)anthra(5,6-b)oxepine, Benz(a)anthra(5,6-f)oxepine
Technical Specifications
| Molecular Formula | C22H14O |
| Molecular Weight | 294.10446 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 294.10446 Da |
| Heavy Atoms | 23 |
| Complexity | 492.0 |
| SMILES | C1=CC=C2C=C3C4=CC=CC=C4C5=C(C3=CC2=C1)C=CC=CO5 |
| InChIKey | OBAGZPZMMATEPT-UHFFFAOYSA-N |
Chemical Property Profile of Benz[3,4]anthra[2,1-b]oxepin
Property Insights of Benz[3,4]anthra[2,1-b]oxepin
The XLogP value of 6.6 indicates that Benz[3,4]anthra[2,1-b]oxepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benz[3,4]anthra[2,1-b]oxepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz[3,4]anthra[2,1-b]oxepin has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benz[3,4]anthra[2,1-b]oxepin?
The CAS number of Benz[3,4]anthra[2,1-b]oxepin is 132172-56-6.
What is the molecular formula of Benz[3,4]anthra[2,1-b]oxepin?
The molecular formula of Benz[3,4]anthra[2,1-b]oxepin is C22H14O.
What is the molecular weight of Benz[3,4]anthra[2,1-b]oxepin?
The molecular weight of Benz[3,4]anthra[2,1-b]oxepin is 294.10446 g/mol.
Where can I buy Benz[3,4]anthra[2,1-b]oxepin?
You can request a quote for Benz[3,4]anthra[2,1-b]oxepin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benz[3,4]anthra[2,1-b]oxepin?
Yes, CoreyChem provides custom synthesis services for Benz[3,4]anthra[2,1-b]oxepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.