1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride
TL;DR: 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride (CAS 1049733-74-5) is a chemical compound with molecular formula C12H18Cl3FN2 and molecular weight 314.05197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane;dihydrochloride
Also Known As: 1-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane dihydrochloride, 1-(2-Chloro-6-fluoro-benzyl)-[1,4]diazepane dihydrochloride, 1-(2-chloro-6-fluorobenzyl)-1,4-diazepane dihydrochloride, 1-(2-chloro-6-fluorobenzyl)homopiperazine dihydrochloride, 1-(2-chloro-6-fluoro-benzyl)-[1,4]diazepanedihydrochloride
Technical Specifications
| Molecular Formula | C12H18Cl3FN2 |
| Molecular Weight | 314.05197 g/mol |
| XLogP | 3.118 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.05197 Da |
| Heavy Atoms | 18 |
| Complexity | 215.0 |
| SMILES | C1CNCCN(C1)CC2=C(C=CC=C2Cl)F.Cl.Cl |
| InChIKey | LOJKPRBAIRCXJZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride
Property Insights of 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride
The XLogP value of 3.118 indicates that 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride has 3 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 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride?
The CAS number of 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride is 1049733-74-5.
What is the molecular formula of 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride?
The molecular formula of 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride is C12H18Cl3FN2.
What is the molecular weight of 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride?
The molecular weight of 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride is 314.05197 g/mol.
Where can I buy 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride?
You can request a quote for 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride?
Yes, CoreyChem provides custom synthesis services for 1-((2-Chloro-6-fluorophenyl)methyl)-1,4-diazepane dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.