1-(3-Chloropropyl)-1,4-diazepane
TL;DR: 1-(3-Chloropropyl)-1,4-diazepane (CAS 164332-25-6) is a chemical compound with molecular formula C8H17ClN2 and molecular weight 176.10803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloropropyl)-1,4-diazepane
Also Known As: 1-(3-chloropropyl)-1,4-diazepane, J2.372.785D, 1-(3-Chloropropyl)hexahydro-1H-1,4-diazepine
Technical Specifications
| Molecular Formula | C8H17ClN2 |
| Molecular Weight | 176.10803 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.10803 Da |
| Heavy Atoms | 11 |
| Complexity | 98.0 |
| SMILES | C1CNCCN(C1)CCCCl |
| InChIKey | CBUWJWKFNWJLNH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Chloropropyl)-1,4-diazepane
Property Insights of 1-(3-Chloropropyl)-1,4-diazepane
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloropropyl)-1,4-diazepane. With a topological polar surface area (TPSA) of 15.3 Ų, 1-(3-Chloropropyl)-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloropropyl)-1,4-diazepane 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 1-(3-Chloropropyl)-1,4-diazepane?
The CAS number of 1-(3-Chloropropyl)-1,4-diazepane is 164332-25-6.
What is the molecular formula of 1-(3-Chloropropyl)-1,4-diazepane?
The molecular formula of 1-(3-Chloropropyl)-1,4-diazepane is C8H17ClN2.
What is the molecular weight of 1-(3-Chloropropyl)-1,4-diazepane?
The molecular weight of 1-(3-Chloropropyl)-1,4-diazepane is 176.10803 g/mol.
Where can I buy 1-(3-Chloropropyl)-1,4-diazepane?
You can request a quote for 1-(3-Chloropropyl)-1,4-diazepane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Chloropropyl)-1,4-diazepane?
Yes, CoreyChem provides custom synthesis services for 1-(3-Chloropropyl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.