Didemethyldoxepin HCl
TL;DR: Didemethyldoxepin HCl (CAS 63915-63-9) is a chemical compound with molecular formula C17H18ClNO and molecular weight 287.1077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(6H-benzo[c][1]benzoxepin-11-ylidene)propylazanium chloride
Also Known As: Didemethyldoxepin HCl
Technical Specifications
| Molecular Formula | C17H18ClNO |
| Molecular Weight | 287.1077 g/mol |
| XLogP | -0.35 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.1077 Da |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
| SMILES | C1C2=CC=CC=C2C(=CCC[NH3+])C3=CC=CC=C3O1.[Cl-] |
| InChIKey | XWAPSMVWLAWJAW-UHFFFAOYSA-N |
Chemical Property Profile of Didemethyldoxepin HCl
Property Insights of Didemethyldoxepin HCl
The XLogP value of -0.35 indicates that Didemethyldoxepin HCl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.9 Ų, Didemethyldoxepin HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Didemethyldoxepin HCl 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 Didemethyldoxepin HCl?
The CAS number of Didemethyldoxepin HCl is 63915-63-9.
What is the molecular formula of Didemethyldoxepin HCl?
The molecular formula of Didemethyldoxepin HCl is C17H18ClNO.
What is the molecular weight of Didemethyldoxepin HCl?
The molecular weight of Didemethyldoxepin HCl is 287.1077 g/mol.
Where can I buy Didemethyldoxepin HCl?
You can request a quote for Didemethyldoxepin HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Didemethyldoxepin HCl?
Yes, CoreyChem provides custom synthesis services for Didemethyldoxepin HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.