1,4-Bis(4-fluorobenzoyl)-1,4-diazepane
TL;DR: 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane (CAS 90172-58-0) is a chemical compound with molecular formula C19H18F2N2O2 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
Also Known As: 1,4-bis(4-fluorobenzoyl)-1,4-diazepane, 1,4-diazepane-1,4-diylbis[(4-fluorophenyl)methanone], ((1,4-diazepane-1,4-diyl)bis((4-fluorophenyl)methanone)), [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
| Molecular Formula | C19H18F2N2O2 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 2.9531 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.13364 |
| Heavy Atoms | 25 |
| Complexity | 694.4985 |
Chemical Identifiers
| CAS Number | 90172-58-0 |
|---|---|
| SMILES | C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F |
Product Overview
1,4-Bis(4-fluorobenzoyl)-1,4-diazepane (CAS 90172-58-0), with molecular formula C19H18F2N2O2 and molecular weight 344.13 g/mol. IUPAC: [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone.
Chemical Property Profile of 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane
Property Insights of 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane
The XLogP value of 2.9531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane. With a topological polar surface area (TPSA) of 40.62 Ų, 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane?
The CAS number of 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane is 90172-58-0.
What is the molecular formula of 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane?
The molecular formula of 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane is C19H18F2N2O2.
What is the molecular weight of 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane?
The molecular weight of 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane is 344.13 g/mol.
Where can I buy 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane?
You can request a quote for 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(4-fluorobenzoyl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.