RefChem:227829
TL;DR: RefChem:227829 (CAS 96421-74-8) is a chemical compound with molecular formula C18H26ClNO2 and molecular weight 323.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(azepan-1-ium-1-ylmethyl)-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-one chloride
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((hexahydro-1H-azepin-1-yl)methyl)-7-methyl-, hydrochloride, 3,4-Dihydro-4-((hexahydro-1H-azepin-1-yl)methyl)-7-methyl-1-benzoxepin-5(2H)-one HCl, 1-Benzoxepin-5(1H)-one, 4-((hexahydro-1H-azepin-1-yl)methyl)-3,4-dihydro-7-methyl-, hydrochloride, 4-(Azepan-1-ium-1-ylmethyl)-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-onechloride, 4-(azepan-1-ium-1-ylmethyl)-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-one chloride
Technical Specifications
| Molecular Formula | C18H26ClNO2 |
| Molecular Weight | 323.1652 g/mol |
| XLogP | -0.96 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.1652 Da |
| Heavy Atoms | 22 |
| Complexity | 349.0 |
| SMILES | CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCCC3.[Cl-] |
| InChIKey | QAYSYICRAFRXQO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:227829
Property Insights of RefChem:227829
The XLogP value of -0.96 indicates that RefChem:227829 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:227829 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227829 has 1 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:227829?
The CAS number of RefChem:227829 is 96421-74-8.
What is the molecular formula of RefChem:227829?
The molecular formula of RefChem:227829 is C18H26ClNO2.
What is the molecular weight of RefChem:227829?
The molecular weight of RefChem:227829 is 323.1652 g/mol.
Where can I buy RefChem:227829?
You can request a quote for RefChem:227829 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:227829?
Yes, CoreyChem provides custom synthesis services for RefChem:227829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.