RefChem:1065064
TL;DR: RefChem:1065064 (CAS 1057-13-2) is a chemical compound with molecular formula C22H25Cl2FN4O and molecular weight 450.13895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-5-(2-fluorophenyl)-1-(3-piperazin-1-ylpropyl)-3H-1,4-benzodiazepin-2-one;hydrochloride
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(3-(1-piperazinyl)propyl)-, hydrochloride, 7-chloro-5-(2-fluorophenyl)-1-(3-piperazin-1-ylpropyl)-3H-1,4-benzodiazepin-2-one hydrochloride, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-5-(o-FLUOROPHENYL)-1-(3-(1-PIPE, 7-chloro-5-(2-fluorophenyl)-1-(3-piperazin-1-ylpropyl)-3H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(3-(1-piperazinyl)propyl)-, hydrochloride (1:1)
Technical Specifications
| Molecular Formula | C22H25Cl2FN4O |
| Molecular Weight | 450.13895 g/mol |
| XLogP | 3.38 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.13895 Da |
| Heavy Atoms | 30 |
| Complexity | 597.0 |
| SMILES | C1CN(CCN1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F.Cl |
| InChIKey | BLCXTJIOJVGBHB-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1065064
Property Insights of RefChem:1065064
The XLogP value of 3.38 indicates that RefChem:1065064 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, RefChem:1065064 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1065064 has 2 hydrogen bond donor(s) and 5 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:1065064?
The CAS number of RefChem:1065064 is 1057-13-2.
What is the molecular formula of RefChem:1065064?
The molecular formula of RefChem:1065064 is C22H25Cl2FN4O.
What is the molecular weight of RefChem:1065064?
The molecular weight of RefChem:1065064 is 450.13895 g/mol.
Where can I buy RefChem:1065064?
You can request a quote for RefChem:1065064 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1065064?
Yes, CoreyChem provides custom synthesis services for RefChem:1065064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.