![(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine structure](/static/products/111/1115182-65-4.webp)
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine
TL;DR: (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine (CAS 1115182-65-4) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine
Also Known As: Desmethyldoxepin, Didemethyldoxepin, Didesmethyl doxepin, Didesmethyldoxepin, trans-N-Desmethyldoxepin
Technical Specifications
| Molecular Formula | C17H17NO |
| Molecular Weight | 251.13101 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.13101 Da |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
| SMILES | C1C2=CC=CC=C2/C(=C\CCN)/C3=CC=CC=C3O1 |
| InChIKey | HLUSHBJOSPBFOC-OQLLNIDSSA-N |
Chemical Property Profile of (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine
Property Insights of (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine
The XLogP value of 3.3 indicates that (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine has 1 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 (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine?
The CAS number of (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine is 1115182-65-4.
What is the molecular formula of (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine?
The molecular formula of (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine is C17H17NO.
What is the molecular weight of (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine?
The molecular weight of (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine is 251.13101 g/mol.
Where can I buy (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine?
You can request a quote for (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine?
Yes, CoreyChem provides custom synthesis services for (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.